ethanol; ethyl 2-azanyl-3-[5-nitro-2,4-bis(oxidanylidene)pyrimidin-1-yl]propanoate

Systemtic Name: ethanol; ethyl 2-azanyl-3-[5-nitro-2,4-bis(oxidanylidene)pyrimidin-1-yl]propanoate Openeye Name: ethanol; ethyl 2-amino-3-(5-nitro-2,4-dioxo-pyrimidin-1-yl)propanoate CAS Name: 2-amino-3-(5-nitro-2,4-dioxo-1-pyrimidinyl)propanoic acid ethyl ester; ethanol IUPAC Name: ethanol; ethyl 2-amino-3-(5-nitro-2,4-dioxopyrimidin-1-yl)propanoate Traditional Name: 2-amino-3-(2,4-diketo-5-nitro-pyrimidin-1-yl)propionic acid ethyl ester; ethanol Formula: C11H18N4O7 MolecularWeight: 318.28322

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CCOC(=O)C(CN1C=C(C(=O)NC1=O)[N+](=O)[O-])N

Isomeric SMILES

CCO.CCOC(=O)C(CN1C=C(C(=O)NC1=O)[N+](=O)[O-])N

InChI

InChI=1S/C9H12N4O6.C2H6O/c1-2-19-8(15)5(10)3-12-4-6(13(17)18)7(14)11-9(12)16;1-2-3/h4-5H,2-3,10H2,1H3,(H,11,14,16);3H,2H2,1H3