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

Systemtic Name: 3-[[2-cyano-3-(2,4-dimethoxy-3-methyl-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-(2,4-dimethoxy-3-methyl-phenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-(2,4-dimethoxy-3-methylphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-(2,4-dimethoxy-3-methylphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-(2,4-dimethoxy-3-methyl-phenyl)acryloyl]amino]benzoic acid Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1OC)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OC

InChI

InChI=1S/C20H18N2O5/c1-12-17(26-2)8-7-13(18(12)27-3)9-15(11-21)19(23)22-16-6-4-5-14(10-16)20(24)25/h4-10H,1-3H3,(H,22,23)(H,24,25)