2-(7-acetamido-4-oxidanylidene-2H-1,3-benzoxazin-3-yl)ethyl nitrate

Systemtic Name: 2-(7-acetamido-4-oxidanylidene-2H-1,3-benzoxazin-3-yl)ethyl nitrate Openeye Name: 2-(7-acetamido-4-oxo-2H-1,3-benzoxazin-3-yl)ethyl nitrate CAS Name: nitric acid 2-(7-acetamido-4-oxo-2H-1,3-benzoxazin-3-yl)ethyl ester IUPAC Name: 2-(7-acetamido-4-oxo-2H-1,3-benzoxazin-3-yl)ethyl nitrate Traditional Name: nitric acid 2-(7-acetamido-4-keto-2H-1,3-benzoxazin-3-yl)ethyl ester Formula: C12H13N3O6 MolecularWeight: 295.24812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=O)N(CO2)CCO[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=O)N(CO2)CCO[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O6/c1-8(16)13-9-2-3-10-11(6-9)20-7-14(12(10)17)4-5-21-15(18)19/h2-3,6H,4-5,7H2,1H3,(H,13,16)