4-[3-[(4-nitrophenyl)amino]-2-[(4-nitrophenyl)carbamoyl]-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[3-[(4-nitrophenyl)amino]-2-[(4-nitrophenyl)carbamoyl]-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[3-(4-nitroanilino)-2-[(4-nitrophenyl)carbamoyl]-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[3-(4-nitroanilino)-2-[(4-nitroanilino)-oxomethyl]-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[3-(4-nitroanilino)-2-[(4-nitrophenyl)carbamoyl]-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[3-keto-3-(4-nitroanilino)-2-[(4-nitrophenyl)carbamoyl]prop-1-enyl]benzoic acid Formula: C23H16N4O8 MolecularWeight: 476.39514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C=C(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C23H16N4O8/c28-21(24-16-5-9-18(10-6-16)26(32)33)20(13-14-1-3-15(4-2-14)23(30)31)22(29)25-17-7-11-19(12-8-17)27(34)35/h1-13H,(H,24,28)(H,25,29)(H,30,31)