2-[(7-azanyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-(cyanomethyl)amino]ethanenitrile

Systemtic Name: 2-[(7-azanyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)-(cyanomethyl)amino]acetonitrile CAS Name: 2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[(7-amino-3-keto-4H-1,4-benzoxazin-6-yl)-(cyanomethyl)amino]acetonitrile Formula: C12H11N5O2 MolecularWeight: 257.24804

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=CC(=C(C=C2O1)N)N(CC#N)CC#N

Isomeric SMILES

C1C(=O)NC2=CC(=C(C=C2O1)N)N(CC#N)CC#N

InChI

InChI=1S/C12H11N5O2/c13-1-3-17(4-2-14)10-6-9-11(5-8(10)15)19-7-12(18)16-9/h5-6H,3-4,7,15H2,(H,16,18)