dimethyl 2-[2-(5-nitropyridin-2-yl)sulfanylethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(5-nitropyridin-2-yl)sulfanylethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[(5-nitro-2-pyridyl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[(5-nitro-2-pyridinyl)thio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(5-nitropyridin-2-yl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(5-nitro-2-pyridyl)thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C17H15N3O7S MolecularWeight: 405.3819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O7S/c1-26-16(22)10-3-5-12(17(23)27-2)13(7-10)19-14(21)9-28-15-6-4-11(8-18-15)20(24)25/h3-8H,9H2,1-2H3,(H,19,21)