[3-[1,3-bis(oxidanylidene)-5-(pyridin-3-ylcarbamoyl)isoindol-2-yl]phenyl] ethanoate

Systemtic Name: [3-[1,3-bis(oxidanylidene)-5-(pyridin-3-ylcarbamoyl)isoindol-2-yl]phenyl] ethanoate Openeye Name: [3-[1,3-dioxo-5-(3-pyridylcarbamoyl)isoindolin-2-yl]phenyl] acetate CAS Name: acetic acid [3-[1,3-dioxo-5-[oxo-(3-pyridinylamino)methyl]-2-isoindolyl]phenyl] ester IUPAC Name: [3-[1,3-dioxo-5-(pyridin-3-ylcarbamoyl)isoindol-2-yl]phenyl] acetate Traditional Name: acetic acid [3-[1,3-diketo-5-(3-pyridylcarbamoyl)isoindolin-2-yl]phenyl] ester Formula: C22H15N3O5 MolecularWeight: 401.3716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CN=CC=C4

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CN=CC=C4

InChI

InChI=1S/C22H15N3O5/c1-13(26)30-17-6-2-5-16(11-17)25-21(28)18-8-7-14(10-19(18)22(25)29)20(27)24-15-4-3-9-23-12-15/h2-12H,1H3,(H,24,27)