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

Systemtic Name: methyl (6aS)-5-(4-ethoxyphenyl)-4,6-bis(oxidanylidene)-1-(3-oxidanylidenebutyl)-2,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate Openeye Name: methyl (6aS)-5-(4-ethoxyphenyl)-4,6-dioxo-1-(3-oxobutyl)-2,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate CAS Name: (6aS)-5-(4-ethoxyphenyl)-4,6-dioxo-1-(3-oxobutyl)-2,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl (6aS)-5-(4-ethoxyphenyl)-4,6-dioxo-1-(3-oxobutyl)-2,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate Traditional Name: (6aS)-4,6-diketo-1-(3-ketobutyl)-5-p-phenetyl-2,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester Formula: C19H21N3O6 MolecularWeight: 387.38654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3C(=C(NN3CCC(=O)C)C(=O)OC)C2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)[C@@H]3C(=C(NN3CCC(=O)C)C(=O)OC)C2=O

InChI

InChI=1S/C19H21N3O6/c1-4-28-13-7-5-12(6-8-13)22-17(24)14-15(19(26)27-3)20-21(10-9-11(2)23)16(14)18(22)25/h5-8,16,20H,4,9-10H2,1-3H3/t16-/m0/s1