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

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-3-(3,5-dimethyl-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propionamide Formula: C21H19ClN4O4 MolecularWeight: 426.85296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H19ClN4O4/c1-13-20(26(29)30)14(2)25(24-13)11-10-19(27)23-18-9-8-16(22)12-17(18)21(28)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,23,27)