2-[5-[(E)-3-(4-cyanophenyl)prop-2-enoyl]-2-oxidanyl-phenyl]ethanoic acid

Systemtic Name: 2-[5-[(E)-3-(4-cyanophenyl)prop-2-enoyl]-2-oxidanyl-phenyl]ethanoic acid Openeye Name: 2-[5-[(E)-3-(4-cyanophenyl)prop-2-enoyl]-2-hydroxy-phenyl]acetic acid CAS Name: 2-[5-[(E)-3-(4-cyanophenyl)-1-oxoprop-2-enyl]-2-hydroxyphenyl]acetic acid IUPAC Name: 2-[5-[(E)-3-(4-cyanophenyl)prop-2-enoyl]-2-hydroxyphenyl]acetic acid Traditional Name: 2-[5-[(E)-3-(4-cyanophenyl)acryloyl]-2-hydroxy-phenyl]acetic acid Formula: C18H13NO4 MolecularWeight: 307.30012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)C2=CC(=C(C=C2)O)CC(=O)O)C#N

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)C2=CC(=C(C=C2)O)CC(=O)O)C#N

InChI

InChI=1S/C18H13NO4/c19-11-13-3-1-12(2-4-13)5-7-16(20)14-6-8-17(21)15(9-14)10-18(22)23/h1-9,21H,10H2,(H,22,23)/b7-5+