4-[1,1-bis(oxidanyl)prop-1-en-2-yl-ethyl-amino]benzoic acid

Systemtic Name: 4-[1,1-bis(oxidanyl)prop-1-en-2-yl-ethyl-amino]benzoic acid Openeye Name: 4-[(2,2-dihydroxy-1-methyl-vinyl)-ethyl-amino]benzoic acid CAS Name: 4-[1,1-dihydroxyprop-1-en-2-yl(ethyl)amino]benzoic acid IUPAC Name: 4-[1,1-dihydroxyprop-1-en-2-yl(ethyl)amino]benzoic acid Traditional Name: 4-[(2,2-dihydroxy-1-methyl-vinyl)-ethyl-amino]benzoic acid Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C(=O)O)C(=C(O)O)C

Isomeric SMILES

CCN(C1=CC=C(C=C1)C(=O)O)C(=C(O)O)C

InChI

InChI=1S/C12H15NO4/c1-3-13(8(2)11(14)15)10-6-4-9(5-7-10)12(16)17/h4-7,14-15H,3H2,1-2H3,(H,16,17)