2-azaniumyl-3-[3,4-bis(oxidanyl)phenyl]-2-methyl-propanoate

Systemtic Name: 2-azaniumyl-3-[3,4-bis(oxidanyl)phenyl]-2-methyl-propanoate Openeye Name: 2-azaniumyl-3-(3,4-dihydroxyphenyl)-2-methyl-propanoate CAS Name: 2-ammonio-3-(3,4-dihydroxyphenyl)-2-methylpropanoate IUPAC Name: 2-azaniumyl-3-(3,4-dihydroxyphenyl)-2-methylpropanoate Traditional Name: 2-ammonio-3-(3,4-dihydroxyphenyl)-2-methyl-propionate Formula: C10H13NO4 MolecularWeight: 211.21452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)O)O)(C(=O)[O-])[NH3+]

Isomeric SMILES

CC(CC1=CC(=C(C=C1)O)O)(C(=O)[O-])[NH3+]

InChI

InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)