[(E)-5-(dimethylamino)-3-oxidanylidene-pent-4-en-2-yl] benzoate

Systemtic Name: [(E)-5-(dimethylamino)-3-oxidanylidene-pent-4-en-2-yl] benzoate Openeye Name: [(E)-4-(dimethylamino)-1-methyl-2-oxo-but-3-enyl] benzoate CAS Name: benzoic acid [(E)-5-(dimethylamino)-3-oxopent-4-en-2-yl] ester IUPAC Name: [(E)-5-(dimethylamino)-3-oxopent-4-en-2-yl] benzoate Traditional Name: benzoic acid [(E)-4-(dimethylamino)-2-keto-1-methyl-but-3-enyl] ester Formula: C14H17NO3 MolecularWeight: 247.28968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C=CN(C)C)OC(=O)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO3/c1-11(13(16)9-10-15(2)3)18-14(17)12-7-5-4-6-8-12/h4-11H,1-3H3/b10-9+