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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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