methyl 5-methyl-4-nitro-2-(phenylmethyl)pyrazole-3-carboxylate

Systemtic Name: methyl 5-methyl-4-nitro-2-(phenylmethyl)pyrazole-3-carboxylate Openeye Name: methyl 2-benzyl-5-methyl-4-nitro-pyrazole-3-carboxylate CAS Name: 5-methyl-4-nitro-2-(phenylmethyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 2-benzyl-5-methyl-4-nitropyrazole-3-carboxylate Traditional Name: 2-benzyl-5-methyl-4-nitro-pyrazole-3-carboxylic acid methyl ester Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)OC)CC2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)OC)CC2=CC=CC=C2

InChI

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