3-[(6-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(6-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(6-bromo-3-oxo-1,4-benzoxazin-4-yl)methyl]benzonitrile CAS Name: 3-[(6-bromo-3-oxo-1,4-benzoxazin-4-yl)methyl]benzonitrile IUPAC Name: 3-[(6-bromo-3-oxo-1,4-benzoxazin-4-yl)methyl]benzonitrile Traditional Name: 3-[(6-bromo-3-keto-1,4-benzoxazin-4-yl)methyl]benzonitrile Formula: C16H11BrN2O2 MolecularWeight: 343.17474

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)Br)CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)Br)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H11BrN2O2/c17-13-4-5-15-14(7-13)19(16(20)10-21-15)9-12-3-1-2-11(6-12)8-18/h1-7H,9-10H2