(E)-2-cyano-5-(4-methylphenyl)-3-oxidanylidene-pent-4-enoic acid

Systemtic Name: (E)-2-cyano-5-(4-methylphenyl)-3-oxidanylidene-pent-4-enoic acid Openeye Name: (E)-2-cyano-3-oxo-5-(p-tolyl)pent-4-enoic acid CAS Name: (E)-2-cyano-5-(4-methylphenyl)-3-oxo-4-pentenoic acid IUPAC Name: (E)-2-cyano-5-(4-methylphenyl)-3-oxopent-4-enoic acid Traditional Name: (E)-2-cyano-3-keto-5-(p-tolyl)pent-4-enoic acid Formula: C13H11NO3 MolecularWeight: 229.23134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)C(C#N)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)C(C#N)C(=O)O

InChI

InChI=1S/C13H11NO3/c1-9-2-4-10(5-3-9)6-7-12(15)11(8-14)13(16)17/h2-7,11H,1H3,(H,16,17)/b7-6+