3-[(7-azanyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-methyl-amino]propanenitrile

Systemtic Name: 3-[(7-azanyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-methyl-amino]propanenitrile Openeye Name: 3-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)-methyl-amino]propanenitrile CAS Name: 3-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)-methylamino]propanenitrile IUPAC Name: 3-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)-methylamino]propanenitrile Traditional Name: 3-[(7-amino-3-keto-4H-1,4-benzoxazin-6-yl)-methyl-amino]propionitrile Formula: C12H14N4O2 MolecularWeight: 246.26516

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=C(C=C2C(=C1)NC(=O)CO2)N

Isomeric SMILES

CN(CCC#N)C1=C(C=C2C(=C1)NC(=O)CO2)N

InChI

InChI=1S/C12H14N4O2/c1-16(4-2-3-13)10-6-9-11(5-8(10)14)18-7-12(17)15-9/h5-6H,2,4,7,14H2,1H3,(H,15,17)