5-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-2-nitro-benzoic acid

Systemtic Name: 5-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-2-nitro-benzoic acid Openeye Name: 5-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-nitro-benzoic acid CAS Name: 5-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-2-nitrobenzoic acid IUPAC Name: 5-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-nitrobenzoic acid Traditional Name: 5-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-2-nitro-benzoic acid Formula: C12H9N3O5S MolecularWeight: 307.28196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC(=O)N=C(N1)SC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H9N3O5S/c1-6-4-10(16)14-12(13-6)21-7-2-3-9(15(19)20)8(5-7)11(17)18/h2-5H,1H3,(H,17,18)(H,13,14,16)