2-[(6-chloranyl-4H-1,3-benzoxazin-2-yl)-methyl-amino]propanenitrile

Systemtic Name: 2-[(6-chloranyl-4H-1,3-benzoxazin-2-yl)-methyl-amino]propanenitrile Openeye Name: 2-[(6-chloro-4H-1,3-benzoxazin-2-yl)-methyl-amino]propanenitrile CAS Name: 2-[(6-chloro-4H-1,3-benzoxazin-2-yl)-methylamino]propanenitrile IUPAC Name: 2-[(6-chloro-4H-1,3-benzoxazin-2-yl)-methylamino]propanenitrile Traditional Name: 2-[(6-chloro-4H-1,3-benzoxazin-2-yl)-methyl-amino]propionitrile Formula: C12H12ClN3O MolecularWeight: 249.69618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)N(C)C1=NCC2=C(O1)C=CC(=C2)Cl

Isomeric SMILES

CC(C#N)N(C)C1=NCC2=C(O1)C=CC(=C2)Cl

InChI

InChI=1S/C12H12ClN3O/c1-8(6-14)16(2)12-15-7-9-5-10(13)3-4-11(9)17-12/h3-5,8H,7H2,1-2H3