1-(4-chlorophenyl)-2-(3-methoxy-5-methyl-4-nitro-pyrazol-1-yl)ethanone

Systemtic Name: 1-(4-chlorophenyl)-2-(3-methoxy-5-methyl-4-nitro-pyrazol-1-yl)ethanone Openeye Name: 1-(4-chlorophenyl)-2-(3-methoxy-5-methyl-4-nitro-pyrazol-1-yl)ethanone CAS Name: 1-(4-chlorophenyl)-2-(3-methoxy-5-methyl-4-nitro-1-pyrazolyl)ethanone IUPAC Name: 1-(4-chlorophenyl)-2-(3-methoxy-5-methyl-4-nitropyrazol-1-yl)ethanone Traditional Name: 1-(4-chlorophenyl)-2-(3-methoxy-5-methyl-4-nitro-pyrazol-1-yl)ethanone Formula: C13H12ClN3O4 MolecularWeight: 309.70508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O4/c1-8-12(17(19)20)13(21-2)15-16(8)7-11(18)9-3-5-10(14)6-4-9/h3-6H,7H2,1-2H3