2-[(4-ethanoylphenyl)amino]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate

Systemtic Name: 2-[(4-ethanoylphenyl)amino]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-(4-acetylanilino)-5-nitro-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-(4-acetylanilino)-5-nitro-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-(4-acetylanilino)-5-nitro-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-(4-acetylanilino)-6-keto-5-nitro-1H-pyrimidin-4-olate Formula: C12H9N4O5- MolecularWeight: 289.22366

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC2=NC(=C(C(=O)N2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC2=NC(=C(C(=O)N2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H10N4O5/c1-6(17)7-2-4-8(5-3-7)13-12-14-10(18)9(16(20)21)11(19)15-12/h2-5H,1H3,(H3,13,14,15,18,19)/p-1