ethyl (3R,4R)-3-cyano-5-(2,4-dichlorophenyl)-2-(4-nitrophenyl)-4-phenyl-4H-pyrazole-3-carboxylate

Systemtic Name: ethyl (3R,4R)-3-cyano-5-(2,4-dichlorophenyl)-2-(4-nitrophenyl)-4-phenyl-4H-pyrazole-3-carboxylate Openeye Name: ethyl (3R,4R)-3-cyano-5-(2,4-dichlorophenyl)-2-(4-nitrophenyl)-4-phenyl-4H-pyrazole-3-carboxylate CAS Name: (3R,4R)-3-cyano-5-(2,4-dichlorophenyl)-2-(4-nitrophenyl)-4-phenyl-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R)-3-cyano-5-(2,4-dichlorophenyl)-2-(4-nitrophenyl)-4-phenyl-4H-pyrazole-3-carboxylate Traditional Name: (3R,4R)-3-cyano-5-(2,4-dichlorophenyl)-2-(4-nitrophenyl)-4-phenyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C25H18Cl2N4O4 MolecularWeight: 509.34082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@@]1([C@H](C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H18Cl2N4O4/c1-2-35-24(32)25(15-28)22(16-6-4-3-5-7-16)23(20-13-8-17(26)14-21(20)27)29-30(25)18-9-11-19(12-10-18)31(33)34/h3-14,22H,2H2,1H3/t22-,25-/m0/s1