ethyl 3-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: ethyl 3-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: ethyl 3-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(3-keto-6-nitro-1,4-benzoxazin-4-yl)propionic acid ethyl ester Formula: C13H14N2O6 MolecularWeight: 294.26006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C(=O)COC2=C1C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCN1C(=O)COC2=C1C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O6/c1-2-20-13(17)5-6-14-10-7-9(15(18)19)3-4-11(10)21-8-12(14)16/h3-4,7H,2,5-6,8H2,1H3