(E)-3-[4-[1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]oxycarbonylphenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]oxycarbonylphenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[2-(carboxymethylamino)-1-methyl-2-oxo-ethoxy]carbonylphenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[1-(carboxymethylamino)-1-oxopropan-2-yl]oxy-oxomethyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[1-(carboxymethylamino)-1-oxopropan-2-yl]oxycarbonylphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[2-(carboxymethylamino)-2-keto-1-methyl-ethoxy]carbonylphenyl]acrylic acid Formula: C15H15NO7 MolecularWeight: 321.2821

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(=O)O)OC(=O)C1=CC=C(C=C1)C=CC(=O)O

Isomeric SMILES

CC(C(=O)NCC(=O)O)OC(=O)C1=CC=C(C=C1)/C=C/C(=O)O

InChI

InChI=1S/C15H15NO7/c1-9(14(21)16-8-13(19)20)23-15(22)11-5-2-10(3-6-11)4-7-12(17)18/h2-7,9H,8H2,1H3,(H,16,21)(H,17,18)(H,19,20)/b7-4+