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

Systemtic Name: 4-[(E)-2-cyano-3-(2-methylphenyl)-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-cyano-3-(o-tolyl)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-cyano-3-(2-methylphenyl)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-cyano-3-(2-methylphenyl)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-cyano-3-keto-3-(o-tolyl)prop-1-enyl]benzoic acid Formula: C18H13NO3 MolecularWeight: 291.30072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C(=CC2=CC=C(C=C2)C(=O)O)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)/C(=C/C2=CC=C(C=C2)C(=O)O)/C#N

InChI

InChI=1S/C18H13NO3/c1-12-4-2-3-5-16(12)17(20)15(11-19)10-13-6-8-14(9-7-13)18(21)22/h2-10H,1H3,(H,21,22)/b15-10+