4-[1-(2-nitroimidazol-1-yl)-6-(4-nitrophenyl)sulfonyl-hex-4-yn-2-yl]oxy-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[1-(2-nitroimidazol-1-yl)-6-(4-nitrophenyl)sulfonyl-hex-4-yn-2-yl]oxy-4-oxidanylidene-butanoic acid Openeye Name: 4-[1-[(2-nitroimidazol-1-yl)methyl]-5-(4-nitrophenyl)sulfonyl-pent-3-ynoxy]-4-oxo-butanoic acid CAS Name: 4-[1-(2-nitro-1-imidazolyl)-6-(4-nitrophenyl)sulfonylhex-4-yn-2-yl]oxy-4-oxobutanoic acid IUPAC Name: 4-[1-(2-nitroimidazol-1-yl)-6-(4-nitrophenyl)sulfonylhex-4-yn-2-yl]oxy-4-oxobutanoic acid Traditional Name: 4-keto-4-[1-[(2-nitroimidazol-1-yl)methyl]-5-nosyl-pent-3-ynoxy]butyric acid Formula: C19H18N4O10S MolecularWeight: 494.43202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)CC#CCC(CN2C=CN=C2[N+](=O)[O-])OC(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)CC#CCC(CN2C=CN=C2[N+](=O)[O-])OC(=O)CCC(=O)O

InChI

InChI=1S/C19H18N4O10S/c24-17(25)8-9-18(26)33-15(13-21-11-10-20-19(21)23(29)30)3-1-2-12-34(31,32)16-6-4-14(5-7-16)22(27)28/h4-7,10-11,15H,3,8-9,12-13H2,(H,24,25)