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

Systemtic Name: ethyl 4-(5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(5-nitro-4-oxo-1H-pyrimidin-6-yl)piperazine-1-carboxylate CAS Name: 4-(5-nitro-4-oxo-1H-pyrimidin-6-yl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-nitro-4-oxo-1H-pyrimidin-6-yl)piperazine-1-carboxylate Traditional Name: 4-(4-keto-5-nitro-1H-pyrimidin-6-yl)piperazine-1-carboxylic acid ethyl ester Formula: C11H15N5O5 MolecularWeight: 297.2673

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=O)N=CN2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=O)N=CN2)[N+](=O)[O-]

InChI

InChI=1S/C11H15N5O5/c1-2-21-11(18)15-5-3-14(4-6-15)9-8(16(19)20)10(17)13-7-12-9/h7H,2-6H2,1H3,(H,12,13,17)