5-(6-bromanyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione

Systemtic Name: 5-(6-bromanyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Openeye Name: 5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)-2-(3-pyridylmethyl)isoindoline-1,3-dione CAS Name: 5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)-2-(3-pyridinylmethyl)isoindole-1,3-dione IUPAC Name: 5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Traditional Name: 5-(6-bromo-4-keto-3,1-benzoxazin-2-yl)-2-(3-pyridylmethyl)isoindoline-1,3-quinone Formula: C22H12BrN3O4 MolecularWeight: 462.25238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(C=C(C=C5)Br)C(=O)O4

Isomeric SMILES

C1=CC(=CN=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(C=C(C=C5)Br)C(=O)O4

InChI

InChI=1S/C22H12BrN3O4/c23-14-4-6-18-17(9-14)22(29)30-19(25-18)13-3-5-15-16(8-13)21(28)26(20(15)27)11-12-2-1-7-24-10-12/h1-10H,11H2