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)