[4-nitro-2-[2,3,4-tris(chloranyl)phenyl]pyrazol-3-yl] 2-methylbutanoate

Systemtic Name: [4-nitro-2-[2,3,4-tris(chloranyl)phenyl]pyrazol-3-yl] 2-methylbutanoate Openeye Name: [4-nitro-2-(2,3,4-trichlorophenyl)pyrazol-3-yl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [4-nitro-2-(2,3,4-trichlorophenyl)-3-pyrazolyl] ester IUPAC Name: [4-nitro-2-(2,3,4-trichlorophenyl)pyrazol-3-yl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [4-nitro-2-(2,3,4-trichlorophenyl)pyrazol-3-yl] ester Formula: C14H12Cl3N3O4 MolecularWeight: 392.62178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1=C(C=NN1C2=C(C(=C(C=C2)Cl)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C(=O)OC1=C(C=NN1C2=C(C(=C(C=C2)Cl)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H12Cl3N3O4/c1-3-7(2)14(21)24-13-10(20(22)23)6-18-19(13)9-5-4-8(15)11(16)12(9)17/h4-7H,3H2,1-2H3