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

Systemtic Name: ethyl (3aR,6aS)-5-(3-bromophenyl)-1-ethanoyl-4,6-bis(oxidanylidene)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate Openeye Name: ethyl (3aR,6aS)-1-acetyl-5-(3-bromophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate CAS Name: (3aR,6aS)-1-acetyl-5-(3-bromophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR,6aS)-1-acetyl-5-(3-bromophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate Traditional Name: (3aR,6aS)-1-acetyl-5-(3-bromophenyl)-4,6-diketo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid ethyl ester Formula: C16H14BrN3O5 MolecularWeight: 408.20346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC(=CC=C3)Br)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN3O5/c1-3-25-16(24)12-11-13(20(18-12)8(2)21)15(23)19(14(11)22)10-6-4-5-9(17)7-10/h4-7,11,13H,3H2,1-2H3/t11-,13-/m0/s1