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

Systemtic Name: 2-[(4S)-1,3-dimethyl-5-oxidanylidene-4H-pyrazol-4-yl]ethyl N-phenylcarbamate Openeye Name: 2-[(4S)-1,3-dimethyl-5-oxo-4H-pyrazol-4-yl]ethyl N-phenylcarbamate CAS Name: N-phenylcarbamic 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-phenylcarbamate Traditional Name: N-phenylcarbamic acid 2-[(4S)-5-keto-1,3-dimethyl-2-pyrazolin-4-yl]ethyl ester Formula: C14H17N3O3 MolecularWeight: 275.30308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3/c1-10-12(13(18)17(2)16-10)8-9-20-14(19)15-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,15,19)/t12-/m0/s1