2-methyl-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanenitrile

Systemtic Name: 2-methyl-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanenitrile Openeye Name: 2-methyl-3-(3-oxo-1,4-benzoxazin-4-yl)propanenitrile CAS Name: 2-methyl-3-(3-oxo-1,4-benzoxazin-4-yl)propanenitrile IUPAC Name: 2-methyl-3-(3-oxo-1,4-benzoxazin-4-yl)propanenitrile Traditional Name: 3-(3-keto-1,4-benzoxazin-4-yl)-2-methyl-propionitrile Formula: C12H12N2O2 MolecularWeight: 216.23588

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)COC2=CC=CC=C21)C#N

Isomeric SMILES

CC(CN1C(=O)COC2=CC=CC=C21)C#N

InChI

InChI=1S/C12H12N2O2/c1-9(6-13)7-14-10-4-2-3-5-11(10)16-8-12(14)15/h2-5,9H,7-8H2,1H3