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

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

Systemtic Name:5-nitro-2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]benzoic acid
Openeye Name:5-nitro-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzoic acid
CAS Name:5-nitro-2-[(6-oxo-1H-pyrimidin-2-yl)thio]benzoic acid
IUPAC Name:5-nitro-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzoic acid
Traditional Name:2-[(6-keto-1H-pyrimidin-2-yl)thio]-5-nitro-benzoic acid
Formula: C11H7N3O5S
MolecularWeight: 293.25538
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C11H7N3O5S/c15-9-3-4-12-11(13-9)20-8-2-1-6(14(18)19)5-7(8)10(16)17/h1-5H,(H,16,17)(H,12,13,15)


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