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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C20H18N2O6/c1-26-16-9-12(10-17(27-2)18(16)28-3)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+