3-nitro-4-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]benzamide

Systemtic Name: 3-nitro-4-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]benzamide Openeye Name: 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-nitro-benzamide CAS Name: 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-3-nitrobenzamide IUPAC Name: 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: 4-[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-3-nitro-benzamide Formula: C11H8N4O5S MolecularWeight: 308.27002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])SC2=NC(=CC(=O)N2)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])SC2=NC(=CC(=O)N2)O

InChI

InChI=1S/C11H8N4O5S/c12-10(18)5-1-2-7(6(3-5)15(19)20)21-11-13-8(16)4-9(17)14-11/h1-4H,(H2,12,18)(H2,13,14,16,17)