1-cyanopropan-2-yl (E)-5-(3-methylphenyl)-3-oxidanylidene-pent-4-enoate

Systemtic Name: 1-cyanopropan-2-yl (E)-5-(3-methylphenyl)-3-oxidanylidene-pent-4-enoate Openeye Name: (2-cyano-1-methyl-ethyl) (E)-5-(m-tolyl)-3-oxo-pent-4-enoate CAS Name: (E)-5-(3-methylphenyl)-3-oxo-4-pentenoic acid 1-cyanopropan-2-yl ester IUPAC Name: 1-cyanopropan-2-yl (E)-5-(3-methylphenyl)-3-oxopent-4-enoate Traditional Name: (E)-3-keto-5-(m-tolyl)pent-4-enoic acid (2-cyano-1-methyl-ethyl) ester Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO3/c1-12-4-3-5-14(10-12)6-7-15(18)11-16(19)20-13(2)8-9-17/h3-7,10,13H,8,11H2,1-2H3/b7-6+