4-(5-nitropyridin-2-yl)sulfanylbenzoate

Systemtic Name: 4-(5-nitropyridin-2-yl)sulfanylbenzoate Openeye Name: 4-[(5-nitro-2-pyridyl)sulfanyl]benzoate CAS Name: 4-[(5-nitro-2-pyridinyl)thio]benzoate IUPAC Name: 4-(5-nitropyridin-2-yl)sulfanylbenzoate Traditional Name: 4-[(5-nitro-2-pyridyl)thio]benzoate Formula: C12H7N2O4S- MolecularWeight: 275.25998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])SC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])SC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H8N2O4S/c15-12(16)8-1-4-10(5-2-8)19-11-6-3-9(7-13-11)14(17)18/h1-7H,(H,15,16)/p-1