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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)N3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)N3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C21H19ClN4O4/c1-3-18(25-13(2)11-19(24-25)26(29)30)21(28)23-17-10-9-15(22)12-16(17)20(27)14-7-5-4-6-8-14/h4-12,18H,3H2,1-2H3,(H,23,28)