2-[(4S)-1,3-dimethyl-5-oxidanylidene-4H-pyrazol-4-yl]ethyl N-(3-methylphenyl)carbamate

Systemtic Name: 2-[(4S)-1,3-dimethyl-5-oxidanylidene-4H-pyrazol-4-yl]ethyl N-(3-methylphenyl)carbamate Openeye Name: 2-[(4S)-1,3-dimethyl-5-oxo-4H-pyrazol-4-yl]ethyl N-(m-tolyl)carbamate CAS Name: N-(3-methylphenyl)carbamic acid 2-[(4S)-1,3-dimethyl-5-oxo-4H-pyrazol-4-yl]ethyl ester IUPAC Name: 2-[(4S)-1,3-dimethyl-5-oxo-4H-pyrazol-4-yl]ethyl N-(3-methylphenyl)carbamate Traditional Name: N-(m-tolyl)carbamic acid 2-[(4S)-5-keto-1,3-dimethyl-2-pyrazolin-4-yl]ethyl ester Formula: C15H19N3O3 MolecularWeight: 289.32966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)OCCC2C(=NN(C2=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)OCC[C@H]2C(=NN(C2=O)C)C

InChI

InChI=1S/C15H19N3O3/c1-10-5-4-6-12(9-10)16-15(20)21-8-7-13-11(2)17-18(3)14(13)19/h4-6,9,13H,7-8H2,1-3H3,(H,16,20)/t13-/m0/s1