3-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-2-methyl-propanenitrile

Systemtic Name: 3-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-2-methyl-propanenitrile Openeye Name: 3-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-2-methyl-propanenitrile CAS Name: 3-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-2-methylpropanenitrile IUPAC Name: 3-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-2-methylpropanenitrile Traditional Name: 3-(6-chloro-3-keto-1,4-benzoxazin-4-yl)-2-methyl-propionitrile Formula: C12H11ClN2O2 MolecularWeight: 250.68094

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)COC2=C1C=C(C=C2)Cl)C#N

Isomeric SMILES

CC(CN1C(=O)COC2=C1C=C(C=C2)Cl)C#N

InChI

InChI=1S/C12H11ClN2O2/c1-8(5-14)6-15-10-4-9(13)2-3-11(10)17-7-12(15)16/h2-4,8H,6-7H2,1H3