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

Systemtic Name: (phenylmethyl) 4-nitro-2-(phenylmethyl)-5-propyl-pyrazole-3-carboxylate Openeye Name: benzyl 2-benzyl-4-nitro-5-propyl-pyrazole-3-carboxylate CAS Name: 4-nitro-2-(phenylmethyl)-5-propyl-3-pyrazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-benzyl-4-nitro-5-propylpyrazole-3-carboxylate Traditional Name: 2-benzyl-4-nitro-5-propyl-pyrazole-3-carboxylic acid benzyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1[N+](=O)[O-])C(=O)OCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCCC1=NN(C(=C1[N+](=O)[O-])C(=O)OCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c1-2-9-18-19(24(26)27)20(21(25)28-15-17-12-7-4-8-13-17)23(22-18)14-16-10-5-3-6-11-16/h3-8,10-13H,2,9,14-15H2,1H3