methyl 1-[(4-chlorophenyl)methyl]-5-methyl-4-nitro-pyrazole-3-carboxylate

Systemtic Name: methyl 1-[(4-chlorophenyl)methyl]-5-methyl-4-nitro-pyrazole-3-carboxylate Openeye Name: methyl 1-[(4-chlorophenyl)methyl]-5-methyl-4-nitro-pyrazole-3-carboxylate CAS Name: 1-[(4-chlorophenyl)methyl]-5-methyl-4-nitro-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-chlorophenyl)methyl]-5-methyl-4-nitropyrazole-3-carboxylate Traditional Name: 1-(4-chlorobenzyl)-5-methyl-4-nitro-pyrazole-3-carboxylic acid methyl ester Formula: C13H12ClN3O4 MolecularWeight: 309.70508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)Cl)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)Cl)C(=O)OC)[N+](=O)[O-]

InChI

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