2-(3-nitro-4-sulfanyl-phenyl)-1-(3-oxidanylpiperidin-1-yl)prop-2-en-1-one

Systemtic Name: 2-(3-nitro-4-sulfanyl-phenyl)-1-(3-oxidanylpiperidin-1-yl)prop-2-en-1-one Openeye Name: 1-(3-hydroxy-1-piperidyl)-2-(3-nitro-4-sulfanyl-phenyl)prop-2-en-1-one CAS Name: 1-(3-hydroxy-1-piperidinyl)-2-(4-mercapto-3-nitrophenyl)-2-propen-1-one IUPAC Name: 1-(3-hydroxypiperidin-1-yl)-2-(3-nitro-4-sulfanylphenyl)prop-2-en-1-one Traditional Name: 1-(3-hydroxypiperidino)-2-(4-mercapto-3-nitro-phenyl)prop-2-en-1-one Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)N2CCCC(C2)O

Isomeric SMILES

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)N2CCCC(C2)O

InChI

InChI=1S/C14H16N2O4S/c1-9(14(18)15-6-2-3-11(17)8-15)10-4-5-13(21)12(7-10)16(19)20/h4-5,7,11,17,21H,1-3,6,8H2