N-(4-methoxy-2-nitro-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-methoxy-2-nitro-phenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(4-methoxy-2-nitrophenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(4-methoxy-2-nitro-phenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C14H13N3O5S MolecularWeight: 335.33512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=CC=CC=[N+]2[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=CC=CC=[N+]2[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O5S/c1-22-10-5-6-11(12(8-10)17(20)21)15-13(18)9-23-14-4-2-3-7-16(14)19/h2-8H,9H2,1H3,(H,15,18)