2-(3-chlorophenyl)-5-methyl-4-(2-nitroethanoyl)-1H-pyrazol-3-one

Systemtic Name: 2-(3-chlorophenyl)-5-methyl-4-(2-nitroethanoyl)-1H-pyrazol-3-one Openeye Name: 2-(3-chlorophenyl)-5-methyl-4-(2-nitroacetyl)-1H-pyrazol-3-one CAS Name: 2-(3-chlorophenyl)-5-methyl-4-(2-nitro-1-oxoethyl)-1H-pyrazol-3-one IUPAC Name: 2-(3-chlorophenyl)-5-methyl-4-(2-nitroacetyl)-1H-pyrazol-3-one Traditional Name: 2-(3-chlorophenyl)-5-methyl-4-(2-nitroacetyl)-3-pyrazolin-3-one Formula: C12H10ClN3O4 MolecularWeight: 295.6785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C(=O)C[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C(=O)C[N+](=O)[O-]

InChI

InChI=1S/C12H10ClN3O4/c1-7-11(10(17)6-15(19)20)12(18)16(14-7)9-4-2-3-8(13)5-9/h2-5,14H,6H2,1H3