(phenylmethyl) 1-(4-nitrophenyl)-5-propan-2-yl-pyrazole-4-carboxylate

Systemtic Name: (phenylmethyl) 1-(4-nitrophenyl)-5-propan-2-yl-pyrazole-4-carboxylate Openeye Name: benzyl 5-isopropyl-1-(4-nitrophenyl)pyrazole-4-carboxylate CAS Name: 1-(4-nitrophenyl)-5-propan-2-yl-4-pyrazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(4-nitrophenyl)-5-propan-2-ylpyrazole-4-carboxylate Traditional Name: 5-isopropyl-1-(4-nitrophenyl)pyrazole-4-carboxylic acid benzyl ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O4/c1-14(2)19-18(20(24)27-13-15-6-4-3-5-7-15)12-21-22(19)16-8-10-17(11-9-16)23(25)26/h3-12,14H,13H2,1-2H3