3-[[(E)-2-[(2-chlorophenyl)carbonylamino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[(E)-2-[(2-chlorophenyl)carbonylamino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[(E)-2-[(2-chlorobenzoyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[(E)-2-[[(2-chlorophenyl)-oxomethyl]amino]-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[(E)-2-[(2-chlorobenzoyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[(E)-2-[(2-chlorobenzoyl)amino]-3-(4-nitrophenyl)acryloyl]amino]benzoic acid Formula: C23H16ClN3O6 MolecularWeight: 465.84264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)NC3=CC=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C23H16ClN3O6/c24-19-7-2-1-6-18(19)21(28)26-20(12-14-8-10-17(11-9-14)27(32)33)22(29)25-16-5-3-4-15(13-16)23(30)31/h1-13H,(H,25,29)(H,26,28)(H,30,31)/b20-12+