methyl 2-[(4-methylphenyl)methyl]-5-nitro-pyrazole-3-carboxylate

Systemtic Name: methyl 2-[(4-methylphenyl)methyl]-5-nitro-pyrazole-3-carboxylate Openeye Name: methyl 5-nitro-2-(p-tolylmethyl)pyrazole-3-carboxylate CAS Name: 2-[(4-methylphenyl)methyl]-5-nitro-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methylphenyl)methyl]-5-nitropyrazole-3-carboxylate Traditional Name: 2-(4-methylbenzyl)-5-nitro-pyrazole-3-carboxylic acid methyl ester Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=CC(=N2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=CC(=N2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H13N3O4/c1-9-3-5-10(6-4-9)8-15-11(13(17)20-2)7-12(14-15)16(18)19/h3-7H,8H2,1-2H3