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

Systemtic Name: methyl (3aS,6aS)-5-(2-bromophenyl)-4,6-bis(oxidanylidene)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate Openeye Name: methyl (3aS,6aS)-5-(2-bromophenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate CAS Name: (3aS,6aS)-5-(2-bromophenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl (3aS,6aS)-5-(2-bromophenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate Traditional Name: (3aS,6aS)-5-(2-bromophenyl)-4,6-diketo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester Formula: C13H10BrN3O4 MolecularWeight: 352.1402

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NNC2C1C(=O)N(C2=O)C3=CC=CC=C3Br

Isomeric SMILES

COC(=O)C1=NN[C@H]2[C@@H]1C(=O)N(C2=O)C3=CC=CC=C3Br

InChI

InChI=1S/C13H10BrN3O4/c1-21-13(20)10-8-9(15-16-10)12(19)17(11(8)18)7-5-3-2-4-6(7)14/h2-5,8-9,15H,1H3/t8-,9-/m0/s1