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

Systemtic Name: (E)-5-(2-cyano-4-methyl-phenyl)-3-oxidanylidene-pent-4-enoic acid Openeye Name: (E)-5-(2-cyano-4-methyl-phenyl)-3-oxo-pent-4-enoic acid CAS Name: (E)-5-(2-cyano-4-methylphenyl)-3-oxo-4-pentenoic acid IUPAC Name: (E)-5-(2-cyano-4-methylphenyl)-3-oxopent-4-enoic acid Traditional Name: (E)-5-(2-cyano-4-methyl-phenyl)-3-keto-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)CC(=O)O)C#N

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO3/c1-9-2-3-10(11(6-9)8-14)4-5-12(15)7-13(16)17/h2-6H,7H2,1H3,(H,16,17)/b5-4+