3-[3,4-bis(oxidanyl)phenyl]-2-methyl-2-[(5-methyl-2-oxidanylidene-1,3-dioxol-4-yl)methylamino]propanoate

Systemtic Name: 3-[3,4-bis(oxidanyl)phenyl]-2-methyl-2-[(5-methyl-2-oxidanylidene-1,3-dioxol-4-yl)methylamino]propanoate Openeye Name: 3-(3,4-dihydroxyphenyl)-2-methyl-2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methylamino]propanoate CAS Name: 3-(3,4-dihydroxyphenyl)-2-methyl-2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methylamino]propanoate IUPAC Name: 3-(3,4-dihydroxyphenyl)-2-methyl-2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methylamino]propanoate Traditional Name: 3-(3,4-dihydroxyphenyl)-2-[(2-keto-5-methyl-1,3-dioxol-4-yl)methylamino]-2-methyl-propionate Formula: C15H16NO7- MolecularWeight: 322.29004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=O)O1)CNC(C)(CC2=CC(=C(C=C2)O)O)C(=O)[O-]

Isomeric SMILES

CC1=C(OC(=O)O1)CNC(C)(CC2=CC(=C(C=C2)O)O)C(=O)[O-]

InChI

InChI=1S/C15H17NO7/c1-8-12(23-14(21)22-8)7-16-15(2,13(19)20)6-9-3-4-10(17)11(18)5-9/h3-5,16-18H,6-7H2,1-2H3,(H,19,20)/p-1