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

Systemtic Name: ethyl (3aS,6aR)-5-(4-ethylphenyl)-4,6-bis(oxidanylidene)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate Openeye Name: ethyl (3aS,6aR)-5-(4-ethylphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate CAS Name: (3aS,6aR)-5-(4-ethylphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3aS,6aR)-5-(4-ethylphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate Traditional Name: (3aS,6aR)-5-(4-ethylphenyl)-4,6-diketo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid ethyl ester Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3C(C2=O)NN=C3C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](C2=O)NN=C3C(=O)OCC

InChI

InChI=1S/C16H17N3O4/c1-3-9-5-7-10(8-6-9)19-14(20)11-12(15(19)21)17-18-13(11)16(22)23-4-2/h5-8,11-12,17H,3-4H2,1-2H3/t11-,12+/m0/s1