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Chemical ID: 4270003

Cc1ccccc1C(=O)NN=C2c3cc(ccc3NC2=O)[N+](=O)[O-]

Chemical ID:

4270003

Name [?]:

2-methyl-N-(5-nitro-2-oxo-indolin-3-ylidene)amino-benzamide

SMILES [?]:

Cc1ccccc1C(=O)NN=C2c3cc(ccc3NC2=O)[N+](=O)[O-]

InChi [?]:

InChI=1/C16H12N4O4/c1-9-4-2-3-5-11(9)15(21)19-18-14-12-8-10(20(23)24)6-7-13(12)17-16(14)22/h2-8H,1H3,(H,19,21)(H,17,18,22)

InChi Info:

AuxInfo=1/1/N:1,4,5,3,6,16,17,14,2,15,7,13,18,12,8,20,19,11,10,22,9,21,23,24/E:(23,24)/CRV:20.5/rA:24nCCCCCCCCONNCCCCCCCNCON+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;w11;s12;s13;d14;s15;d16;d13s17;s18;s12s19;d20;s15;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₂N₄O₄
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	2.43614
Area:	498.294
Solvation:	-10.0212
Coulombic:	-50.7721

Bond Count [?]

All:	26
Single:	16
Double:	10
Rotors:	4
Chiral:	1
Rigid Segments:	4

Chemical Properties

Molecular Weight:	324.291
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	3.07
LogP (Chemaxon):	3.05

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