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3-[(4-morpholin-4-yl-3,5-dinitro-phenyl)carbonylamino]benzoic acid

3-[(4-morpholin-4-yl-3,5-dinitro-phenyl)carbonylamino]benzoic acid

Systemtic Name:3-[(4-morpholin-4-yl-3,5-dinitro-phenyl)carbonylamino]benzoic acid
Openeye Name:3-[(4-morpholino-3,5-dinitro-benzoyl)amino]benzoic acid
CAS Name:3-[[[4-(4-morpholinyl)-3,5-dinitrophenyl]-oxomethyl]amino]benzoic acid
IUPAC Name:3-[(4-morpholin-4-yl-3,5-dinitrobenzoyl)amino]benzoic acid
Traditional Name:3-[(4-morpholino-3,5-dinitro-benzoyl)amino]benzoic acid
Formula: C18H16N4O8
MolecularWeight: 416.34164
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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)C(=O)O)[N+](=O)[O-]


Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)C(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C18H16N4O8/c23-17(19-13-3-1-2-11(8-13)18(24)25)12-9-14(21(26)27)16(15(10-12)22(28)29)20-4-6-30-7-5-20/h1-3,8-10H,4-7H2,(H,19,23)(H,24,25)


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