N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanamide

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-methylpropanamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methylpropanamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propionamide Formula: C22H21ClN4O4 MolecularWeight: 440.87954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(C)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H21ClN4O4/c1-13(12-26-15(3)20(27(30)31)14(2)25-26)22(29)24-19-10-9-17(23)11-18(19)21(28)16-7-5-4-6-8-16/h4-11,13H,12H2,1-3H3,(H,24,29)