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

Systemtic Name: 2-[[(E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-cyano-3-(3,4-dimethoxyphenyl)acryloyl]amino]benzoic acid Formula: C19H16N2O5 MolecularWeight: 352.34074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)O)OC

InChI

InChI=1S/C19H16N2O5/c1-25-16-8-7-12(10-17(16)26-2)9-13(11-20)18(22)21-15-6-4-3-5-14(15)19(23)24/h3-10H,1-2H3,(H,21,22)(H,23,24)/b13-9+