4-(6-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanenitrile

Systemtic Name: 4-(6-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanenitrile Openeye Name: 4-(6-bromo-3-oxo-1,4-benzoxazin-4-yl)butanenitrile CAS Name: 4-(6-bromo-3-oxo-1,4-benzoxazin-4-yl)butanenitrile IUPAC Name: 4-(6-bromo-3-oxo-1,4-benzoxazin-4-yl)butanenitrile Traditional Name: 4-(6-bromo-3-keto-1,4-benzoxazin-4-yl)butyronitrile Formula: C12H11BrN2O2 MolecularWeight: 295.13194

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)Br)CCCC#N

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)Br)CCCC#N

InChI

InChI=1S/C12H11BrN2O2/c13-9-3-4-11-10(7-9)15(6-2-1-5-14)12(16)8-17-11/h3-4,7H,1-2,6,8H2