2-[[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]-5-oxidanyl-benzoic acid

Systemtic Name: 2-[[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]-5-oxidanyl-benzoic acid Openeye Name: 5-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 5-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 5-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 5-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]amino]benzoic acid Formula: C17H15NO6 MolecularWeight: 329.3041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)NC2=C(C=C(C=C2)O)C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)NC2=C(C=C(C=C2)O)C(=O)O)O

InChI

InChI=1S/C17H15NO6/c1-24-15-8-10(2-6-14(15)20)3-7-16(21)18-13-5-4-11(19)9-12(13)17(22)23/h2-9,19-20H,1H3,(H,18,21)(H,22,23)/b7-3+