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

Systemtic Name: 2-[[(E)-2-cyano-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-cyano-3-(3-hydroxy-4-methoxy-phenyl)acryloyl]amino]benzoic acid Formula: C18H14N2O5 MolecularWeight: 338.31416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O5/c1-25-16-7-6-11(9-15(16)21)8-12(10-19)17(22)20-14-5-3-2-4-13(14)18(23)24/h2-9,21H,1H3,(H,20,22)(H,23,24)/b12-8+