ethyl 5-(3-bromophenyl)-1-ethanoyl-6a-methyl-4,6-bis(oxidanylidene)-3aH-pyrrolo[3,4-c]pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(3-bromophenyl)-1-ethanoyl-6a-methyl-4,6-bis(oxidanylidene)-3aH-pyrrolo[3,4-c]pyrazole-3-carboxylate Openeye Name: ethyl 1-acetyl-5-(3-bromophenyl)-6a-methyl-4,6-dioxo-3aH-pyrrolo[3,4-c]pyrazole-3-carboxylate CAS Name: 1-acetyl-5-(3-bromophenyl)-6a-methyl-4,6-dioxo-3aH-pyrrolo[3,4-c]pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-acetyl-5-(3-bromophenyl)-6a-methyl-4,6-dioxo-3aH-pyrrolo[3,4-c]pyrazole-3-carboxylate Traditional Name: 1-acetyl-5-(3-bromophenyl)-4,6-diketo-6a-methyl-3aH-pyrrolo[3,4-c]pyrazole-3-carboxylic acid ethyl ester Formula: C17H16BrN3O5 MolecularWeight: 422.23004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2(C1C(=O)N(C2=O)C3=CC(=CC=C3)Br)C)C(=O)C

Isomeric SMILES

CCOC(=O)C1=NN(C2(C1C(=O)N(C2=O)C3=CC(=CC=C3)Br)C)C(=O)C

InChI

InChI=1S/C17H16BrN3O5/c1-4-26-15(24)13-12-14(23)20(11-7-5-6-10(18)8-11)16(25)17(12,3)21(19-13)9(2)22/h5-8,12H,4H2,1-3H3