ethyl 4-[4-(3-bromophenyl)-3-methyl-6-oxidanylidene-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate

Systemtic Name: ethyl 4-[4-(3-bromophenyl)-3-methyl-6-oxidanylidene-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate Openeye Name: ethyl 4-[4-(3-bromophenyl)-3-methyl-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate CAS Name: 4-[4-(3-bromophenyl)-3-methyl-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-bromophenyl)-3-methyl-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate Traditional Name: 4-[4-(3-bromophenyl)-6-keto-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid ethyl ester Formula: C21H18BrN3O3 MolecularWeight: 440.28992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(C3=C(NN=C3C2=O)C)C4=CC(=CC=C4)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(C3=C(NN=C3C2=O)C)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H18BrN3O3/c1-3-28-21(27)13-7-9-16(10-8-13)25-19(14-5-4-6-15(22)11-14)17-12(2)23-24-18(17)20(25)26/h4-11,19H,3H2,1-2H3,(H,23,24)