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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC#N

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CCC#N

InChI

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