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

Systemtic Name: (4-phenylphenyl) 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylate Openeye Name: (4-phenylphenyl) 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-(3-nitrophenyl)-4-pyrazolecarboxylic acid (4-phenylphenyl) ester IUPAC Name: (4-phenylphenyl) 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylic acid (4-phenylphenyl) ester Formula: C25H18N4O4 MolecularWeight: 438.43482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CN(N=C3C4=CC(=CC=C4)[N+](=O)[O-])CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CN(N=C3C4=CC(=CC=C4)[N+](=O)[O-])CCC#N

InChI

InChI=1S/C25H18N4O4/c26-14-5-15-28-17-23(24(27-28)20-8-4-9-21(16-20)29(31)32)25(30)33-22-12-10-19(11-13-22)18-6-2-1-3-7-18/h1-4,6-13,16-17H,5,15H2