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

Systemtic Name: 5-(6-bromanyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-2-cyclohexyl-isoindole-1,3-dione Openeye Name: 5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)-2-cyclohexyl-isoindoline-1,3-dione CAS Name: 5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)-2-cyclohexylisoindole-1,3-dione IUPAC Name: 5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)-2-cyclohexylisoindole-1,3-dione Traditional Name: 5-(6-bromo-4-keto-3,1-benzoxazin-2-yl)-2-cyclohexyl-isoindoline-1,3-quinone Formula: C22H17BrN2O4 MolecularWeight: 453.28538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(C=C(C=C5)Br)C(=O)O4

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(C=C(C=C5)Br)C(=O)O4

InChI

InChI=1S/C22H17BrN2O4/c23-13-7-9-18-17(11-13)22(28)29-19(24-18)12-6-8-15-16(10-12)21(27)25(20(15)26)14-4-2-1-3-5-14/h6-11,14H,1-5H2