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

Systemtic Name: 4-[[(E)-2-cyano-3-(3-ethoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-cyano-3-(3-ethoxy-4-hydroxy-phenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-2-cyano-3-(3-ethoxy-4-hydroxy-phenyl)acryloyl]amino]benzoic acid Formula: C19H16N2O5 MolecularWeight: 352.34074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)O)O

InChI

InChI=1S/C19H16N2O5/c1-2-26-17-10-12(3-8-16(17)22)9-14(11-20)18(23)21-15-6-4-13(5-7-15)19(24)25/h3-10,22H,2H2,1H3,(H,21,23)(H,24,25)/b14-9+