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

Systemtic Name: N-[(2-chloranyl-5-nitro-phenyl)methyl]-3-[2-(4-fluorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]-N-methyl-propanamide Openeye Name: N-[(2-chloro-5-nitro-phenyl)methyl]-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-methyl-propanamide CAS Name: N-[(2-chloro-5-nitrophenyl)methyl]-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-methylpropanamide IUPAC Name: N-[(2-chloro-5-nitrophenyl)methyl]-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-methylpropanamide Traditional Name: N-(2-chloro-5-nitro-benzyl)-3-[1-(4-fluorophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]-N-methyl-propionamide Formula: C21H20ClFN4O4 MolecularWeight: 446.859303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)F)CCC(=O)N(C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)F)CCC(=O)N(C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H20ClFN4O4/c1-13-18(21(29)26(24-13)16-5-3-15(23)4-6-16)8-10-20(28)25(2)12-14-11-17(27(30)31)7-9-19(14)22/h3-7,9,11,24H,8,10,12H2,1-2H3