2-[2-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)phenyl]ethanenitrile

Systemtic Name: 2-[2-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)phenyl]ethanenitrile Openeye Name: 2-[2-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)phenyl]acetonitrile CAS Name: 2-[2-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)phenyl]acetonitrile IUPAC Name: 2-[2-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)phenyl]acetonitrile Traditional Name: 2-[2-(2-keto-4,4-dimethyl-1H-3,1-benzoxazin-6-yl)phenyl]acetonitrile Formula: C18H16N2O2 MolecularWeight: 292.33184

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC=CC=C3CC#N)NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC=CC=C3CC#N)NC(=O)O1)C

InChI

InChI=1S/C18H16N2O2/c1-18(2)15-11-13(7-8-16(15)20-17(21)22-18)14-6-4-3-5-12(14)9-10-19/h3-8,11H,9H2,1-2H3,(H,20,21)