ethyl (3aS,6aS)-4,6-bis(oxidanylidene)-5-(2,4,6-trimethylphenyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate

Systemtic Name: ethyl (3aS,6aS)-4,6-bis(oxidanylidene)-5-(2,4,6-trimethylphenyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate Openeye Name: ethyl (3aS,6aS)-4,6-dioxo-5-(2,4,6-trimethylphenyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate CAS Name: (3aS,6aS)-4,6-dioxo-5-(2,4,6-trimethylphenyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3aS,6aS)-4,6-dioxo-5-(2,4,6-trimethylphenyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate Traditional Name: (3aS,6aS)-4,6-diketo-5-mesityl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid ethyl ester Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC2C1C(=O)N(C2=O)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCOC(=O)C1=NN[C@H]2[C@@H]1C(=O)N(C2=O)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C17H19N3O4/c1-5-24-17(23)13-11-12(18-19-13)16(22)20(15(11)21)14-9(3)6-8(2)7-10(14)4/h6-7,11-12,18H,5H2,1-4H3/t11-,12-/m0/s1