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

Systemtic Name: methyl (3aS,6aR)-1-ethanoyl-5-(4-ethoxyphenyl)-4,6-bis(oxidanylidene)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate Openeye Name: methyl (3aS,6aR)-1-acetyl-5-(4-ethoxyphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate CAS Name: (3aS,6aR)-1-acetyl-5-(4-ethoxyphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl (3aS,6aR)-1-acetyl-5-(4-ethoxyphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate Traditional Name: (3aS,6aR)-1-acetyl-4,6-diketo-5-p-phenetyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](C2=O)N(N=C3C(=O)OC)C(=O)C

InChI

InChI=1S/C17H17N3O6/c1-4-26-11-7-5-10(6-8-11)19-15(22)12-13(17(24)25-3)18-20(9(2)21)14(12)16(19)23/h5-8,12,14H,4H2,1-3H3/t12-,14-/m1/s1