4-[(E)-2-cyano-3-(2-methoxyphenyl)-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-cyano-3-(2-methoxyphenyl)-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-cyano-3-(2-methoxyphenyl)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-cyano-3-(2-methoxyphenyl)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-cyano-3-(2-methoxyphenyl)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-cyano-3-keto-3-(2-methoxyphenyl)prop-1-enyl]benzoic acid Formula: C18H13NO4 MolecularWeight: 307.30012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)C(=CC2=CC=C(C=C2)C(=O)O)C#N

Isomeric SMILES

COC1=CC=CC=C1C(=O)/C(=C/C2=CC=C(C=C2)C(=O)O)/C#N

InChI

InChI=1S/C18H13NO4/c1-23-16-5-3-2-4-15(16)17(20)14(11-19)10-12-6-8-13(9-7-12)18(21)22/h2-10H,1H3,(H,21,22)/b14-10+