(2-sulfanylidenepyridin-1-yl) 3-nitrobenzoate

Systemtic Name: (2-sulfanylidenepyridin-1-yl) 3-nitrobenzoate Openeye Name: (2-thioxo-1-pyridyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (2-sulfanylidene-1-pyridinyl) ester IUPAC Name: (2-sulfanylidenepyridin-1-yl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2-thioxo-1-pyridyl) ester Formula: C12H8N2O4S MolecularWeight: 276.26792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=S)N(C=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=S)N(C=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

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