[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2,4,6-trimethylbenzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2,4,6-trimethylbenzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C16H18N2O3 MolecularWeight: 286.32572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3/c1-9-5-10(2)15(11(3)6-9)16(20)21-8-14(19)13(7-17)12(4)18/h5-6H,8,18H2,1-4H3/b13-12+