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

Systemtic Name: ethyl 3-cyano-5-(4-fluorophenyl)-2,4-bis(4-nitrophenyl)-4H-pyrazole-3-carboxylate Openeye Name: ethyl 3-cyano-5-(4-fluorophenyl)-2,4-bis(4-nitrophenyl)-4H-pyrazole-3-carboxylate CAS Name: 3-cyano-5-(4-fluorophenyl)-2,4-bis(4-nitrophenyl)-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-5-(4-fluorophenyl)-2,4-bis(4-nitrophenyl)-4H-pyrazole-3-carboxylate Traditional Name: 3-cyano-5-(4-fluorophenyl)-2,4-bis(4-nitrophenyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C25H18FN5O6 MolecularWeight: 503.438723

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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)[N+](=O)[O-])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)[N+](=O)[O-])C#N

InChI

InChI=1S/C25H18FN5O6/c1-2-37-24(32)25(15-27)22(16-5-9-20(10-6-16)30(33)34)23(17-3-7-18(26)8-4-17)28-29(25)19-11-13-21(14-12-19)31(35)36/h3-14,22H,2H2,1H3