4-[3-(5-nitropyridin-2-yl)sulfanylpropanoylamino]benzoic acid

Systemtic Name: 4-[3-(5-nitropyridin-2-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 4-[3-[(5-nitro-2-pyridyl)sulfanyl]propanoylamino]benzoic acid CAS Name: 4-[[3-[(5-nitro-2-pyridinyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[3-(5-nitropyridin-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 4-[3-[(5-nitro-2-pyridyl)thio]propanoylamino]benzoic acid Formula: C15H13N3O5S MolecularWeight: 347.34582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)CCSC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)CCSC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O5S/c19-13(17-11-3-1-10(2-4-11)15(20)21)7-8-24-14-6-5-12(9-16-14)18(22)23/h1-6,9H,7-8H2,(H,17,19)(H,20,21)