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

Systemtic Name: 2-[(4S)-1,3-dimethyl-5-oxidanylidene-4H-pyrazol-4-yl]ethyl N-(3-chlorophenyl)carbamate Openeye Name: 2-[(4S)-1,3-dimethyl-5-oxo-4H-pyrazol-4-yl]ethyl N-(3-chlorophenyl)carbamate CAS Name: N-(3-chlorophenyl)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-chlorophenyl)carbamate Traditional Name: N-(3-chlorophenyl)carbamic acid 2-[(4S)-5-keto-1,3-dimethyl-2-pyrazolin-4-yl]ethyl ester Formula: C14H16ClN3O3 MolecularWeight: 309.74814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CCOC(=O)NC2=CC(=CC=C2)Cl)C

Isomeric SMILES

CC1=NN(C(=O)[C@H]1CCOC(=O)NC2=CC(=CC=C2)Cl)C

InChI

InChI=1S/C14H16ClN3O3/c1-9-12(13(19)18(2)17-9)6-7-21-14(20)16-11-5-3-4-10(15)8-11/h3-5,8,12H,6-7H2,1-2H3,(H,16,20)/t12-/m0/s1