3-[4-(5-bromanylpentyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]benzenecarbonitrile

Systemtic Name: 3-[4-(5-bromanylpentyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-(5-bromopentyl)-3-oxo-1,4-benzoxazin-2-yl]benzonitrile CAS Name: 3-[4-(5-bromopentyl)-3-oxo-1,4-benzoxazin-2-yl]benzonitrile IUPAC Name: 3-[4-(5-bromopentyl)-3-oxo-1,4-benzoxazin-2-yl]benzonitrile Traditional Name: 3-[4-(5-bromopentyl)-3-keto-1,4-benzoxazin-2-yl]benzonitrile Formula: C20H19BrN2O2 MolecularWeight: 399.28106

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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)CCCCCBr

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O2/c21-11-4-1-5-12-23-17-9-2-3-10-18(17)25-19(20(23)24)16-8-6-7-15(13-16)14-22/h2-3,6-10,13,19H,1,4-5,11-12H2