[3-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 3-methylbutanoate

Systemtic Name: [3-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 3-methylbutanoate Openeye Name: [3-[(E)-2-cyano-3-methoxy-3-oxo-prop-1-enyl]phenyl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [3-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]phenyl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [3-[(E)-2-cyano-3-keto-3-methoxy-prop-1-enyl]phenyl] ester Formula: C16H17NO4 MolecularWeight: 287.31048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC1=CC=CC(=C1)C=C(C#N)C(=O)OC

Isomeric SMILES

CC(C)CC(=O)OC1=CC=CC(=C1)/C=C(\C#N)/C(=O)OC

InChI

InChI=1S/C16H17NO4/c1-11(2)7-15(18)21-14-6-4-5-12(9-14)8-13(10-17)16(19)20-3/h4-6,8-9,11H,7H2,1-3H3/b13-8+