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

Systemtic Name: methyl (3aS,6aR)-1-(2-methoxyphenyl)-5-(4-methylphenyl)-4,6-bis(oxidanylidene)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate Openeye Name: methyl (3aS,6aR)-1-(2-methoxyphenyl)-4,6-dioxo-5-(p-tolyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate CAS Name: (3aS,6aR)-1-(2-methoxyphenyl)-5-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl (3aS,6aR)-1-(2-methoxyphenyl)-5-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate Traditional Name: (3aS,6aR)-4,6-diketo-1-(2-methoxyphenyl)-5-(p-tolyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=C3C(=O)OC)C4=CC=CC=C4OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](C2=O)N(N=C3C(=O)OC)C4=CC=CC=C4OC

InChI

InChI=1S/C21H19N3O5/c1-12-8-10-13(11-9-12)23-19(25)16-17(21(27)29-3)22-24(18(16)20(23)26)14-6-4-5-7-15(14)28-2/h4-11,16,18H,1-3H3/t16-,18-/m1/s1