3-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanenitrile

Systemtic Name: 3-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanenitrile Openeye Name: 3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanenitrile CAS Name: 3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanenitrile IUPAC Name: 3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanenitrile Traditional Name: 3-(3-keto-6-methyl-1,4-benzoxazin-4-yl)propionitrile Formula: C12H12N2O2 MolecularWeight: 216.23588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(=O)N2CCC#N

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(=O)N2CCC#N

InChI

InChI=1S/C12H12N2O2/c1-9-3-4-11-10(7-9)14(6-2-5-13)12(15)8-16-11/h3-4,7H,2,6,8H2,1H3