2-[[4-[(2-carboxylatophenyl)carbonyl-(2,4-dinitrophenyl)carbonyl-amino]phenyl]-ethanoyl-carbamoyl]benzoate

Systemtic Name: 2-[[4-[(2-carboxylatophenyl)carbonyl-(2,4-dinitrophenyl)carbonyl-amino]phenyl]-ethanoyl-carbamoyl]benzoate Openeye Name: 2-[acetyl-[4-[(2-carboxylatobenzoyl)-(2,4-dinitrobenzoyl)amino]phenyl]carbamoyl]benzoate CAS Name: 2-[[N-acetyl-4-[[(2-carboxylatophenyl)-oxomethyl]-[(2,4-dinitrophenyl)-oxomethyl]amino]anilino]-oxomethyl]benzoate IUPAC Name: 2-[acetyl-[4-[(2-carboxylatobenzoyl)-(2,4-dinitrobenzoyl)amino]phenyl]carbamoyl]benzoate Traditional Name: 2-[acetyl-[4-[(2-carboxylatobenzoyl)-(2,4-dinitrobenzoyl)amino]phenyl]carbamoyl]benzoate Formula: C31H18N4O12-2 MolecularWeight: 638.49422

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=C(C=C1)N(C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)C3=CC=CC=C3C(=O)[O-])C(=O)C4=CC=CC=C4C(=O)[O-]

Isomeric SMILES

CC(=O)N(C1=CC=C(C=C1)N(C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)C3=CC=CC=C3C(=O)[O-])C(=O)C4=CC=CC=C4C(=O)[O-]

InChI

InChI=1S/C31H20N4O12/c1-17(36)32(27(37)21-6-2-4-8-23(21)30(40)41)18-10-12-19(13-11-18)33(28(38)22-7-3-5-9-24(22)31(42)43)29(39)25-15-14-20(34(44)45)16-26(25)35(46)47/h2-16H,1H3,(H,40,41)(H,42,43)/p-2