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

Systemtic Name: 3-[(3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(3-oxo-1,4-benzoxazin-4-yl)methyl]benzonitrile CAS Name: 3-[(3-oxo-1,4-benzoxazin-4-yl)methyl]benzonitrile IUPAC Name: 3-[(3-oxo-1,4-benzoxazin-4-yl)methyl]benzonitrile Traditional Name: 3-[(3-keto-1,4-benzoxazin-4-yl)methyl]benzonitrile Formula: C16H12N2O2 MolecularWeight: 264.27868

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2O1)CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2O1)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H12N2O2/c17-9-12-4-3-5-13(8-12)10-18-14-6-1-2-7-15(14)20-11-16(18)19/h1-8H,10-11H2