2-[[(E)-2-cyano-3-(4-methoxy-3-methyl-phenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-2-cyano-3-(4-methoxy-3-methyl-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-(4-methoxy-3-methyl-phenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-3-(4-methoxy-3-methylphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-(4-methoxy-3-methylphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-cyano-3-(4-methoxy-3-methyl-phenyl)acryloyl]amino]benzoic acid Formula: C19H16N2O4 MolecularWeight: 336.34134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)O)OC

InChI

InChI=1S/C19H16N2O4/c1-12-9-13(7-8-17(12)25-2)10-14(11-20)18(22)21-16-6-4-3-5-15(16)19(23)24/h3-10H,1-2H3,(H,21,22)(H,23,24)/b14-10+