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

Systemtic Name: 4-[[4-methyl-3-[(4-nitrophenyl)carbonylamino]phenyl]carbonylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[[4-methyl-3-[(4-nitrobenzoyl)amino]benzoyl]amino]benzoic acid CAS Name: 2-hydroxy-4-[[[4-methyl-3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-4-[[4-methyl-3-[(4-nitrobenzoyl)amino]benzoyl]amino]benzoic acid Traditional Name: 2-hydroxy-4-[[4-methyl-3-[(4-nitrobenzoyl)amino]benzoyl]amino]benzoic acid Formula: C22H17N3O7 MolecularWeight: 435.38628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C(=O)O)O)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C(=O)O)O)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O7/c1-12-2-3-14(21(28)23-15-6-9-17(22(29)30)19(26)11-15)10-18(12)24-20(27)13-4-7-16(8-5-13)25(31)32/h2-11,26H,1H3,(H,23,28)(H,24,27)(H,29,30)