N-(4-nitro-2-oxidanyl-phenyl)-2-(5-nitropyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-nitro-2-oxidanyl-phenyl)-2-(5-nitropyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-hydroxy-4-nitro-phenyl)-2-[(5-nitro-2-pyridyl)sulfanyl]acetamide CAS Name: N-(2-hydroxy-4-nitrophenyl)-2-[(5-nitro-2-pyridinyl)thio]acetamide IUPAC Name: N-(2-hydroxy-4-nitrophenyl)-2-(5-nitropyridin-2-yl)sulfanylacetamide Traditional Name: N-(2-hydroxy-4-nitro-phenyl)-2-[(5-nitro-2-pyridyl)thio]acetamide Formula: C13H10N4O6S MolecularWeight: 350.3067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N4O6S/c18-11-5-8(16(20)21)1-3-10(11)15-12(19)7-24-13-4-2-9(6-14-13)17(22)23/h1-6,18H,7H2,(H,15,19)