[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-chlorophenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C30H20Cl2N4O5 MolecularWeight: 587.4096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC(=O)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC(=O)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C30H20Cl2N4O5/c31-21-13-11-19(12-14-21)27-24(18-35(34-27)22-9-5-2-6-10-22)30(38)41-28(20-7-3-1-4-8-20)29(37)33-26-16-15-23(36(39)40)17-25(26)32/h1-18,28H,(H,33,37)