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

Systemtic Name: 3-[3-(5-nitropyridin-2-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[3-[(5-nitro-2-pyridyl)sulfanyl]propanoylamino]benzoic acid CAS Name: 3-[[3-[(5-nitro-2-pyridinyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[3-(5-nitropyridin-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[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(=C1)NC(=O)CCSC2=NC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

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