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

Systemtic Name: 4-[[2-[(3-nitrophenyl)carbonylamino]phenyl]methyl]phthalic acid Openeye Name: 4-[[2-[(3-nitrobenzoyl)amino]phenyl]methyl]phthalic acid CAS Name: 4-[[2-[[(3-nitrophenyl)-oxomethyl]amino]phenyl]methyl]phthalic acid IUPAC Name: 4-[[2-[(3-nitrobenzoyl)amino]phenyl]methyl]phthalic acid Traditional Name: 4-[2-[(3-nitrobenzoyl)amino]benzyl]phthalic acid Formula: C22H16N2O7 MolecularWeight: 420.37164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=CC(=C(C=C2)C(=O)O)C(=O)O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CC2=CC(=C(C=C2)C(=O)O)C(=O)O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O7/c25-20(15-5-3-6-16(12-15)24(30)31)23-19-7-2-1-4-14(19)10-13-8-9-17(21(26)27)18(11-13)22(28)29/h1-9,11-12H,10H2,(H,23,25)(H,26,27)(H,28,29)