ethyl 6-[5-nitro-2,4-bis(oxidanylidene)pyrimidin-1-yl]hexanoate

Systemtic Name: ethyl 6-[5-nitro-2,4-bis(oxidanylidene)pyrimidin-1-yl]hexanoate Openeye Name: ethyl 6-(5-nitro-2,4-dioxo-pyrimidin-1-yl)hexanoate CAS Name: 6-(5-nitro-2,4-dioxo-1-pyrimidinyl)hexanoic acid ethyl ester IUPAC Name: ethyl 6-(5-nitro-2,4-dioxopyrimidin-1-yl)hexanoate Traditional Name: 6-(2,4-diketo-5-nitro-pyrimidin-1-yl)hexanoic acid ethyl ester Formula: C12H17N3O6 MolecularWeight: 299.27988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCN1C=C(C(=O)NC1=O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCCCN1C=C(C(=O)NC1=O)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O6/c1-2-21-10(16)6-4-3-5-7-14-8-9(15(19)20)11(17)13-12(14)18/h8H,2-7H2,1H3,(H,13,17,18)