methyl 4-[3-(4-methylphenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrrolo[3,4-c]pyrazol-4-yl]benzoate

Systemtic Name: methyl 4-[3-(4-methylphenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrrolo[3,4-c]pyrazol-4-yl]benzoate Openeye Name: methyl 4-[6-oxo-3-(p-tolyl)-4,5-dihydro-1H-pyrrolo[3,4-c]pyrazol-4-yl]benzoate CAS Name: 4-[3-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrrolo[3,4-c]pyrazol-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrrolo[3,4-c]pyrazol-4-yl]benzoate Traditional Name: 4-[6-keto-3-(p-tolyl)-4,5-dihydro-1H-pyrrolo[3,4-c]pyrazol-4-yl]benzoic acid methyl ester Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC3=C2C(NC3=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC3=C2C(NC3=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C20H17N3O3/c1-11-3-5-13(6-4-11)17-15-16(21-19(24)18(15)23-22-17)12-7-9-14(10-8-12)20(25)26-2/h3-10,16H,1-2H3,(H,21,24)(H,22,23)