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Chemical ID: 5727999

COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OCC(=O)N2CCOCC2

Chemical ID:

5727999

Name [?]:

methyl morpholinocarbonylmethyl 5-nitrobenzene-1,3-dicarboxylate

SMILES [?]:

COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OCC(=O)N2CCOCC2

InChi [?]:

InChI=1/C15H16N2O8/c1-23-14(19)10-6-11(8-12(7-10)17(21)22)15(20)25-9-13(18)16-2-4-24-5-3-16/h6-8H,2-5,9H2,1H3

InChi Info:

AuxInfo=1/0/N:1,21,25,22,24,6,10,8,17,5,7,9,18,3,14,20,11,19,4,15,12,13,2,23,16/E:(2,3)(4,5)(21,22)/CRV:17.5/rA:25nCOCOCCCCCCN+OO-COOCCONCCOCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s9;d11;s11;s7;d14;s14;s16;s17;d18;s18;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₆N₂O₈
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	3.03751
Area:	573.403
Solvation:	-11.2976
Coulombic:	-71.2777

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	352.296
H-Bond Donors:	0
H-Bond Acceptors:	10
XLogP:	0.58
LogP (Chemaxon):	-0.08

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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