methyl (3aR,6aS)-5-(4-chlorophenyl)-1-(2-methylphenyl)-4,6-bis(oxidanylidene)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate

Systemtic Name: methyl (3aR,6aS)-5-(4-chlorophenyl)-1-(2-methylphenyl)-4,6-bis(oxidanylidene)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate Openeye Name: methyl (3aR,6aS)-5-(4-chlorophenyl)-1-(o-tolyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate CAS Name: (3aR,6aS)-5-(4-chlorophenyl)-1-(2-methylphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl (3aR,6aS)-5-(4-chlorophenyl)-1-(2-methylphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate Traditional Name: (3aR,6aS)-5-(4-chlorophenyl)-4,6-diketo-1-(o-tolyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester Formula: C20H16ClN3O4 MolecularWeight: 397.81174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3C(C(=N2)C(=O)OC)C(=O)N(C3=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1N2[C@H]3[C@H](C(=N2)C(=O)OC)C(=O)N(C3=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H16ClN3O4/c1-11-5-3-4-6-14(11)24-17-15(16(22-24)20(27)28-2)18(25)23(19(17)26)13-9-7-12(21)8-10-13/h3-10,15,17H,1-2H3/t15-,17-/m0/s1