methyl 2-[2-(5-nitropyridin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(5-nitropyridin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(5-nitro-2-pyridyl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[(5-nitro-2-pyridinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(5-nitropyridin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(5-nitro-2-pyridyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C15H13N3O5S MolecularWeight: 347.34582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O5S/c1-23-15(20)11-4-2-3-5-12(11)17-13(19)9-24-14-7-6-10(8-16-14)18(21)22/h2-8H,9H2,1H3,(H,17,19)