2-[[4-(2-chloroethyl)-3,6-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl]methylidene]propanedinitrile

Systemtic Name: 2-[[4-(2-chloroethyl)-3,6-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl]methylidene]propanedinitrile Openeye Name: 2-[[4-(2-chloroethyl)-3,6-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl]methylene]propanedinitrile CAS Name: 2-[[4-(2-chloroethyl)-3,6-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl]methylidene]propanedinitrile IUPAC Name: 2-[[4-(2-chloroethyl)-3,6-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl]methylidene]propanedinitrile Traditional Name: 2-[[4-(2-chloroethyl)-3,6-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl]methylene]malononitrile Formula: C16H16ClN3O MolecularWeight: 301.77074

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Descriptors Computed from Structure

Canonical SMILES:

CC1COC2=C(N1CCCl)C=C(C(=C2)C=C(C#N)C#N)C

Isomeric SMILES

CC1COC2=C(N1CCCl)C=C(C(=C2)C=C(C#N)C#N)C

InChI

InChI=1S/C16H16ClN3O/c1-11-5-15-16(7-14(11)6-13(8-18)9-19)21-10-12(2)20(15)4-3-17/h5-7,12H,3-4,10H2,1-2H3