(phenylmethyl) 1-(2-cyanoethyl)-3-(4-nitrophenyl)pyrazole-4-carboxylate

Systemtic Name: (phenylmethyl) 1-(2-cyanoethyl)-3-(4-nitrophenyl)pyrazole-4-carboxylate Openeye Name: benzyl 1-(2-cyanoethyl)-3-(4-nitrophenyl)pyrazole-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-(4-nitrophenyl)-4-pyrazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(2-cyanoethyl)-3-(4-nitrophenyl)pyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-(4-nitrophenyl)pyrazole-4-carboxylic acid benzyl ester Formula: C20H16N4O4 MolecularWeight: 376.36544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])CCC#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])CCC#N

InChI

InChI=1S/C20H16N4O4/c21-11-4-12-23-13-18(20(25)28-14-15-5-2-1-3-6-15)19(22-23)16-7-9-17(10-8-16)24(26)27/h1-3,5-10,13H,4,12,14H2