ethyl (3aS,6aS)-5-(3-chlorophenyl)-1-(4-methylphenyl)-4,6-bis(oxidanylidene)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate

Systemtic Name: ethyl (3aS,6aS)-5-(3-chlorophenyl)-1-(4-methylphenyl)-4,6-bis(oxidanylidene)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate Openeye Name: ethyl (3aS,6aS)-5-(3-chlorophenyl)-4,6-dioxo-1-(p-tolyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate CAS Name: (3aS,6aS)-5-(3-chlorophenyl)-1-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3aS,6aS)-5-(3-chlorophenyl)-1-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate Traditional Name: (3aS,6aS)-5-(3-chlorophenyl)-4,6-diketo-1-(p-tolyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid ethyl ester Formula: C21H18ClN3O4 MolecularWeight: 411.83832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=NN([C@H]2[C@@H]1C(=O)N(C2=O)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H18ClN3O4/c1-3-29-21(28)17-16-18(25(23-17)14-9-7-12(2)8-10-14)20(27)24(19(16)26)15-6-4-5-13(22)11-15/h4-11,16,18H,3H2,1-2H3/t16-,18+/m1/s1