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

Systemtic Name: 2-chloranyl-5-[2-(5-nitropyridin-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 2-chloro-5-[[2-[(5-nitro-2-pyridyl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-chloro-5-[[2-[(5-nitro-2-pyridinyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-(5-nitropyridin-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-[(5-nitro-2-pyridyl)thio]acetyl]amino]benzoic acid Formula: C14H10ClN3O5S MolecularWeight: 367.7643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CSC2=NC=C(C=C2)[N+](=O)[O-])C(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CSC2=NC=C(C=C2)[N+](=O)[O-])C(=O)O)Cl

InChI

InChI=1S/C14H10ClN3O5S/c15-11-3-1-8(5-10(11)14(20)21)17-12(19)7-24-13-4-2-9(6-16-13)18(22)23/h1-6H,7H2,(H,17,19)(H,20,21)