3-[[2-cyano-3-[2-(4-methoxyphenyl)carbonyloxyphenyl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-[2-(4-methoxyphenyl)carbonyloxyphenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[2-(4-methoxybenzoyl)oxyphenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[2-[(4-methoxyphenyl)-oxomethoxy]phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-[2-(4-methoxybenzoyl)oxyphenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-(2-p-anisoyloxyphenyl)acryloyl]amino]benzoic acid Formula: C25H18N2O6 MolecularWeight: 442.42022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C25H18N2O6/c1-32-21-11-9-16(10-12-21)25(31)33-22-8-3-2-5-17(22)13-19(15-26)23(28)27-20-7-4-6-18(14-20)24(29)30/h2-14H,1H3,(H,27,28)(H,29,30)