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

Systemtic Name: 4-[[(E)-2-cyano-3-(2-nitrophenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-cyano-3-(2-nitrophenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-2-cyano-3-(2-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-cyano-3-(2-nitrophenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-2-cyano-3-(2-nitrophenyl)acryloyl]amino]benzoic acid Formula: C17H11N3O5 MolecularWeight: 337.28634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O5/c18-10-13(9-12-3-1-2-4-15(12)20(24)25)16(21)19-14-7-5-11(6-8-14)17(22)23/h1-9H,(H,19,21)(H,22,23)/b13-9+