4-[[[2-[(3-nitrophenyl)carbonylamino]phenyl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[2-[(3-nitrophenyl)carbonylamino]phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[2-[(3-nitrobenzoyl)amino]benzoyl]amino]methyl]benzoic acid CAS Name: 4-[[[[2-[[(3-nitrophenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-[(3-nitrobenzoyl)amino]benzoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-[(3-nitrobenzoyl)amino]benzoyl]amino]methyl]benzoic acid Formula: C22H17N3O6 MolecularWeight: 419.38688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC2=CC=C(C=C2)C(=O)O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC2=CC=C(C=C2)C(=O)O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O6/c26-20(16-4-3-5-17(12-16)25(30)31)24-19-7-2-1-6-18(19)21(27)23-13-14-8-10-15(11-9-14)22(28)29/h1-12H,13H2,(H,23,27)(H,24,26)(H,28,29)