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

Systemtic Name: 2-[[(E)-2-cyano-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-cyano-3-(4-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(=O)O)NC(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C17H11N3O5/c18-10-12(9-11-5-7-13(8-6-11)20(24)25)16(21)19-15-4-2-1-3-14(15)17(22)23/h1-9H,(H,19,21)(H,22,23)/b12-9+