N-[2-[5-azanyl-2-[3,3-bis(oxidanyl)propylamino]-4-nitro-phenyl]sulfanylethyl]ethanamide

Systemtic Name: N-[2-[5-azanyl-2-[3,3-bis(oxidanyl)propylamino]-4-nitro-phenyl]sulfanylethyl]ethanamide Openeye Name: N-[2-[5-amino-2-(3,3-dihydroxypropylamino)-4-nitro-phenyl]sulfanylethyl]acetamide CAS Name: N-[2-[[5-amino-2-(3,3-dihydroxypropylamino)-4-nitrophenyl]thio]ethyl]acetamide IUPAC Name: N-[2-[5-amino-2-(3,3-dihydroxypropylamino)-4-nitrophenyl]sulfanylethyl]acetamide Traditional Name: N-[2-[[5-amino-2-(3,3-dihydroxypropylamino)-4-nitro-phenyl]thio]ethyl]acetamide Formula: C13H20N4O5S MolecularWeight: 344.3867

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC1=CC(=C(C=C1NCCC(O)O)[N+](=O)[O-])N

Isomeric SMILES

CC(=O)NCCSC1=CC(=C(C=C1NCCC(O)O)[N+](=O)[O-])N

InChI

InChI=1S/C13H20N4O5S/c1-8(18)15-4-5-23-12-6-9(14)11(17(21)22)7-10(12)16-3-2-13(19)20/h6-7,13,16,19-20H,2-5,14H2,1H3,(H,15,18)