5-(4-oxidanylidene-3,1-benzoxazin-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione

Systemtic Name: 5-(4-oxidanylidene-3,1-benzoxazin-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Openeye Name: 5-(4-oxo-3,1-benzoxazin-2-yl)-2-(3-pyridylmethyl)isoindoline-1,3-dione CAS Name: 5-(4-oxo-3,1-benzoxazin-2-yl)-2-(3-pyridinylmethyl)isoindole-1,3-dione IUPAC Name: 5-(4-oxo-3,1-benzoxazin-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Traditional Name: 5-(4-keto-3,1-benzoxazin-2-yl)-2-(3-pyridylmethyl)isoindoline-1,3-quinone Formula: C22H13N3O4 MolecularWeight: 383.35632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CN=CC=C5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CN=CC=C5

InChI

InChI=1S/C22H13N3O4/c26-20-15-8-7-14(19-24-18-6-2-1-5-16(18)22(28)29-19)10-17(15)21(27)25(20)12-13-4-3-9-23-11-13/h1-11H,12H2