4-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]benzoic acid

Systemtic Name: 4-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]benzoic acid Openeye Name: 4-[(4-morpholino-3-nitro-benzoyl)amino]benzoic acid CAS Name: 4-[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]benzoic acid Traditional Name: 4-[(4-morpholino-3-nitro-benzoyl)amino]benzoic acid Formula: C18H17N3O6 MolecularWeight: 371.34408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O6/c22-17(19-14-4-1-12(2-5-14)18(23)24)13-3-6-15(16(11-13)21(25)26)20-7-9-27-10-8-20/h1-6,11H,7-10H2,(H,19,22)(H,23,24)