(4-chlorophenyl) 2,5-dimethyl-4-nitro-pyrazole-3-carboxylate

Systemtic Name: (4-chlorophenyl) 2,5-dimethyl-4-nitro-pyrazole-3-carboxylate Openeye Name: (4-chlorophenyl) 2,5-dimethyl-4-nitro-pyrazole-3-carboxylate CAS Name: 2,5-dimethyl-4-nitro-3-pyrazolecarboxylic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 2,5-dimethyl-4-nitropyrazole-3-carboxylate Traditional Name: 2,5-dimethyl-4-nitro-pyrazole-3-carboxylic acid (4-chlorophenyl) ester Formula: C12H10ClN3O4 MolecularWeight: 295.6785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C12H10ClN3O4/c1-7-10(16(18)19)11(15(2)14-7)12(17)20-9-5-3-8(13)4-6-9/h3-6H,1-2H3