3-[4-(6-bromanylhexyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]benzenecarbonitrile

Systemtic Name: 3-[4-(6-bromanylhexyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-(6-bromohexyl)-3-oxo-1,4-benzoxazin-2-yl]benzonitrile CAS Name: 3-[4-(6-bromohexyl)-3-oxo-1,4-benzoxazin-2-yl]benzonitrile IUPAC Name: 3-[4-(6-bromohexyl)-3-oxo-1,4-benzoxazin-2-yl]benzonitrile Traditional Name: 3-[4-(6-bromohexyl)-3-keto-1,4-benzoxazin-2-yl]benzonitrile Formula: C21H21BrN2O2 MolecularWeight: 413.30764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C(O2)C3=CC=CC(=C3)C#N)CCCCCCBr

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)C(O2)C3=CC=CC(=C3)C#N)CCCCCCBr

InChI

InChI=1S/C21H21BrN2O2/c22-12-5-1-2-6-13-24-18-10-3-4-11-19(18)26-20(21(24)25)17-9-7-8-16(14-17)15-23/h3-4,7-11,14,20H,1-2,5-6,12-13H2