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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(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(=NN1C(C)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H19ClN4O4/c1-12-19(26(29)30)13(2)25(24-12)14(3)21(28)23-18-10-9-16(22)11-17(18)20(27)15-7-5-4-6-8-15/h4-11,14H,1-3H3,(H,23,28)