2-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-1H-pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanyl-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[[2-(4-nitroanilino)-2-oxoethyl]thio]-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-olate Traditional Name: 6-keto-2-[[2-keto-2-(4-nitroanilino)ethyl]thio]-1H-pyrimidin-4-olate Formula: C12H9N4O5S- MolecularWeight: 321.28866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSC2=NC(=CC(=O)N2)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSC2=NC(=CC(=O)N2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O5S/c17-9-5-10(18)15-12(14-9)22-6-11(19)13-7-1-3-8(4-2-7)16(20)21/h1-5H,6H2,(H,13,19)(H2,14,15,17,18)/p-1