N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide CAS Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide Traditional Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C16H16ClN5O3 MolecularWeight: 361.78294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N(CCC#N)C2=CC(=CC=C2)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N(CCC#N)C2=CC(=CC=C2)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C16H16ClN5O3/c1-11-16(22(24)25)12(2)21(19-11)10-15(23)20(8-4-7-18)14-6-3-5-13(17)9-14/h3,5-6,9H,4,8,10H2,1-2H3