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

Systemtic Name: N-(2-cyanoethyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-phenyl-acetamide Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O3/c1-12-16(21(23)24)13(2)20(18-12)11-15(22)19(10-6-9-17)14-7-4-3-5-8-14/h3-5,7-8H,6,10-11H2,1-2H3