2-[[(E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(2,4,5-trimethoxyphenyl)prop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-asaryl-2-cyano-acryloyl]amino]benzoic acid Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)O)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O6/c1-26-16-10-18(28-3)17(27-2)9-12(16)8-13(11-21)19(23)22-15-7-5-4-6-14(15)20(24)25/h4-10H,1-3H3,(H,22,23)(H,24,25)/b13-8+