(4-pyrazol-1-ylphenyl)methyl 2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)ethanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)ethanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-(1-methylene-3-oxo-isoindolin-2-yl)acetate CAS Name: 2-(1-methylene-3-oxo-2-isoindolyl)acetic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate Traditional Name: 2-(1-keto-3-methylene-isoindolin-2-yl)acetic acid (4-pyrazol-1-ylbenzyl) ester Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=CC=CC=C2C(=O)N1CC(=O)OCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C=C1C2=CC=CC=C2C(=O)N1CC(=O)OCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H17N3O3/c1-15-18-5-2-3-6-19(18)21(26)23(15)13-20(25)27-14-16-7-9-17(10-8-16)24-12-4-11-22-24/h2-12H,1,13-14H2