(E)-3-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)but-2-enenitrile

Systemtic Name: (E)-3-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)but-2-enenitrile Openeye Name: (E)-3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)but-2-enenitrile CAS Name: (E)-3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-2-butenenitrile IUPAC Name: (E)-3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)but-2-enenitrile Traditional Name: (E)-3-(2-keto-4,4-dimethyl-1H-3,1-benzoxazin-6-yl)but-2-enenitrile Formula: C14H14N2O2 MolecularWeight: 242.27316

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC#N)C1=CC2=C(C=C1)NC(=O)OC2(C)C

Isomeric SMILES

C/C(=C\C#N)/C1=CC2=C(C=C1)NC(=O)OC2(C)C

InChI

InChI=1S/C14H14N2O2/c1-9(6-7-15)10-4-5-12-11(8-10)14(2,3)18-13(17)16-12/h4-6,8H,1-3H3,(H,16,17)/b9-6+