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Chemical ID: 6652216

c1ccc(c(c1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)N3CCOCC3)[N+](=O)[O-]

Chemical ID:

6652216

Name [?]:

N'-(2-morpholinocarbonylphenyl)-N-[(2-nitrophenyl)methyleneamino]oxamide

SMILES [?]:

c1ccc(c(c1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)N3CCOCC3)[N+](=O)[O-]

InChi [?]:

InChI=1/C20H19N5O6/c26-18(19(27)23-21-13-14-5-1-4-8-17(14)25(29)30)22-16-7-3-2-6-15(16)20(28)24-9-11-31-12-10-24/h1-8,13H,9-12H2,(H,22,26)(H,23,27)

InChi Info:

AuxInfo=1/1/N:1,18,17,2,6,19,16,3,24,28,25,27,7,5,20,15,4,12,10,21,8,14,9,23,29,13,11,22,30,31,26/E:(9,10)(11,12)(29,30)/CRV:25.5/rA:31nCCCCCCCNNCOCONCCCCCCCONCCOCCN+OO-/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;d21;s21;s23;s24;s25;s26;s23s27;s4;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₉N₅O₆
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	5.81231
Area:	636.158
Solvation:	-10.0917
Coulombic:	-81.3549

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	9
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	425.395
H-Bond Donors:	2
H-Bond Acceptors:	11
XLogP:	2.37
LogP (Chemaxon):	2.38

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value