(1,3-diphenylpyrazol-4-yl)methyl 2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)ethanoate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)ethanoate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 2-(1-methylene-3-oxo-isoindolin-2-yl)acetate CAS Name: 2-(1-methylene-3-oxo-2-isoindolyl)acetic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate Traditional Name: 2-(1-keto-3-methylene-isoindolin-2-yl)acetic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C27H21N3O3 MolecularWeight: 435.47394

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=CC=CC=C2C(=O)N1CC(=O)OCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C=C1C2=CC=CC=C2C(=O)N1CC(=O)OCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H21N3O3/c1-19-23-14-8-9-15-24(23)27(32)29(19)17-25(31)33-18-21-16-30(22-12-6-3-7-13-22)28-26(21)20-10-4-2-5-11-20/h2-16H,1,17-18H2