ethyl 3-cyano-5-(4-fluorophenyl)-4-(4-methylphenyl)-2-(4-nitrophenyl)-4H-pyrazole-3-carboxylate

Systemtic Name: ethyl 3-cyano-5-(4-fluorophenyl)-4-(4-methylphenyl)-2-(4-nitrophenyl)-4H-pyrazole-3-carboxylate Openeye Name: ethyl 3-cyano-5-(4-fluorophenyl)-2-(4-nitrophenyl)-4-(p-tolyl)-4H-pyrazole-3-carboxylate CAS Name: 3-cyano-5-(4-fluorophenyl)-4-(4-methylphenyl)-2-(4-nitrophenyl)-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-5-(4-fluorophenyl)-4-(4-methylphenyl)-2-(4-nitrophenyl)-4H-pyrazole-3-carboxylate Traditional Name: 3-cyano-5-(4-fluorophenyl)-2-(4-nitrophenyl)-4-(p-tolyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C26H21FN4O4 MolecularWeight: 472.467743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)F)C4=CC=C(C=C4)C)C#N

Isomeric SMILES

CCOC(=O)C1(C(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)F)C4=CC=C(C=C4)C)C#N

InChI

InChI=1S/C26H21FN4O4/c1-3-35-25(32)26(16-28)23(18-6-4-17(2)5-7-18)24(19-8-10-20(27)11-9-19)29-30(26)21-12-14-22(15-13-21)31(33)34/h4-15,23H,3H2,1-2H3