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

Systemtic Name: 4-[[2-[(3-nitrophenyl)carbonylamino]phenyl]-(phenylmethyl)amino]phthalic acid Openeye Name: 4-[N-benzyl-2-[(3-nitrobenzoyl)amino]anilino]phthalic acid CAS Name: 4-[2-[[(3-nitrophenyl)-oxomethyl]amino]-N-(phenylmethyl)anilino]phthalic acid IUPAC Name: 4-[N-benzyl-2-[(3-nitrobenzoyl)amino]anilino]phthalic acid Traditional Name: 4-[N-benzyl-2-[(3-nitrobenzoyl)amino]anilino]phthalic acid Formula: C28H21N3O7 MolecularWeight: 511.48224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC(=C(C=C2)C(=O)O)C(=O)O)C3=CC=CC=C3NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC(=C(C=C2)C(=O)O)C(=O)O)C3=CC=CC=C3NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H21N3O7/c32-26(19-9-6-10-21(15-19)31(37)38)29-24-11-4-5-12-25(24)30(17-18-7-2-1-3-8-18)20-13-14-22(27(33)34)23(16-20)28(35)36/h1-16H,17H2,(H,29,32)(H,33,34)(H,35,36)