2-acetyloxy-5-[2-[[2-(oxidanylamino)-2-oxidanylidene-ethyl]-prop-2-ynyl-amino]-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 2-acetyloxy-5-[2-[[2-(oxidanylamino)-2-oxidanylidene-ethyl]-prop-2-ynyl-amino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 2-acetoxy-5-[2-[[2-(hydroxyamino)-2-oxo-ethyl]-prop-2-ynyl-amino]-2-oxo-ethyl]benzoic acid CAS Name: 2-acetyloxy-5-[2-[[2-(hydroxyamino)-2-oxoethyl]-prop-2-ynylamino]-2-oxoethyl]benzoic acid IUPAC Name: 2-acetyloxy-5-[2-[[2-(hydroxyamino)-2-oxoethyl]-prop-2-ynylamino]-2-oxoethyl]benzoic acid Traditional Name: 2-acetoxy-5-[2-[[2-(hydroxyamino)-2-keto-ethyl]-propargyl-amino]-2-keto-ethyl]benzoic acid Formula: C16H16N2O7 MolecularWeight: 348.30744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)CC(=O)N(CC#C)CC(=O)NO)C(=O)O

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)CC(=O)N(CC#C)CC(=O)NO)C(=O)O

InChI

InChI=1S/C16H16N2O7/c1-3-6-18(9-14(20)17-24)15(21)8-11-4-5-13(25-10(2)19)12(7-11)16(22)23/h1,4-5,7,24H,6,8-9H2,2H3,(H,17,20)(H,22,23)