4-[2-(5-nitropyridin-2-yl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-[2-(5-nitropyridin-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-[(5-nitro-2-pyridyl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[(5-nitro-2-pyridinyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(5-nitropyridin-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[(5-nitro-2-pyridyl)thio]acetyl]amino]benzoic acid Formula: C14H11N3O5S MolecularWeight: 333.31924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)CSC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)CSC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O5S/c18-12(16-10-3-1-9(2-4-10)14(19)20)8-23-13-6-5-11(7-15-13)17(21)22/h1-7H,8H2,(H,16,18)(H,19,20)