phenacyl 2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: phenacyl 2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: phenacyl 2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1,3-dioxo-5-isoindolecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)isoindoline-5-carboxylic acid phenacyl ester Formula: C28H21N3O6 MolecularWeight: 495.48284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)OCC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)OCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H21N3O6/c1-17-24(27(35)31(29(17)2)20-11-7-4-8-12-20)30-25(33)21-14-13-19(15-22(21)26(30)34)28(36)37-16-23(32)18-9-5-3-6-10-18/h3-15H,16H2,1-2H3