methyl 4-nitro-1-(phenylmethyl)-5-propan-2-yl-pyrazole-3-carboxylate

Systemtic Name: methyl 4-nitro-1-(phenylmethyl)-5-propan-2-yl-pyrazole-3-carboxylate Openeye Name: methyl 1-benzyl-5-isopropyl-4-nitro-pyrazole-3-carboxylate CAS Name: 4-nitro-1-(phenylmethyl)-5-propan-2-yl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-4-nitro-5-propan-2-ylpyrazole-3-carboxylate Traditional Name: 1-benzyl-5-isopropyl-4-nitro-pyrazole-3-carboxylic acid methyl ester Formula: C15H17N3O4 MolecularWeight: 303.31318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NN1CC2=CC=CC=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C(=NN1CC2=CC=CC=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O4/c1-10(2)13-14(18(20)21)12(15(19)22-3)16-17(13)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3