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

Systemtic Name: 3-[4-(4-bromanylbutyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-(4-bromobutyl)-3-oxo-1,4-benzoxazin-2-yl]benzonitrile CAS Name: 3-[4-(4-bromobutyl)-3-oxo-1,4-benzoxazin-2-yl]benzonitrile IUPAC Name: 3-[4-(4-bromobutyl)-3-oxo-1,4-benzoxazin-2-yl]benzonitrile Traditional Name: 3-[4-(4-bromobutyl)-3-keto-1,4-benzoxazin-2-yl]benzonitrile Formula: C19H17BrN2O2 MolecularWeight: 385.25448

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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)CCCCBr

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN2O2/c20-10-3-4-11-22-16-8-1-2-9-17(16)24-18(19(22)23)15-7-5-6-14(12-15)13-21/h1-2,5-9,12,18H,3-4,10-11H2