ethyl 7-[5-nitro-2,4-bis(oxidanylidene)pyrimidin-1-yl]heptanoate

Systemtic Name: ethyl 7-[5-nitro-2,4-bis(oxidanylidene)pyrimidin-1-yl]heptanoate Openeye Name: ethyl 7-(5-nitro-2,4-dioxo-pyrimidin-1-yl)heptanoate CAS Name: 7-(5-nitro-2,4-dioxo-1-pyrimidinyl)heptanoic acid ethyl ester IUPAC Name: ethyl 7-(5-nitro-2,4-dioxopyrimidin-1-yl)heptanoate Traditional Name: 7-(2,4-diketo-5-nitro-pyrimidin-1-yl)enanthic acid ethyl ester Formula: C13H19N3O6 MolecularWeight: 313.30646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCN1C=C(C(=O)NC1=O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCCCCN1C=C(C(=O)NC1=O)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O6/c1-2-22-11(17)7-5-3-4-6-8-15-9-10(16(20)21)12(18)14-13(15)19/h9H,2-8H2,1H3,(H,14,18,19)