ethyl 4-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboxylate CAS Name: 4-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboxylate Traditional Name: 4-(4-hydroxy-6-keto-5-nitro-1H-pyrimidin-2-yl)piperazine-1-carboxylic acid ethyl ester Formula: C11H15N5O6 MolecularWeight: 313.2667

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC(=C(C(=O)N2)[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC(=C(C(=O)N2)[N+](=O)[O-])O

InChI

InChI=1S/C11H15N5O6/c1-2-22-11(19)15-5-3-14(4-6-15)10-12-8(17)7(16(20)21)9(18)13-10/h2-6H2,1H3,(H2,12,13,17,18)