2-azanyl-3-[5-methoxy-4,5-bis(oxidanyl)cyclohexa-1,3-dien-1-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[5-methoxy-4,5-bis(oxidanyl)cyclohexa-1,3-dien-1-yl]propanoic acid Openeye Name: 2-amino-3-(4,5-dihydroxy-5-methoxy-cyclohexa-1,3-dien-1-yl)propanoic acid CAS Name: 2-amino-3-(4,5-dihydroxy-5-methoxy-1-cyclohexa-1,3-dienyl)propanoic acid IUPAC Name: 2-amino-3-(4,5-dihydroxy-5-methoxycyclohexa-1,3-dien-1-yl)propanoic acid Traditional Name: 2-amino-3-(4,5-dihydroxy-5-methoxy-cyclohexa-1,3-dien-1-yl)propionic acid Formula: C10H15NO5 MolecularWeight: 229.2298

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CC(=CC=C1O)CC(C(=O)O)N)O

Isomeric SMILES

COC1(CC(=CC=C1O)CC(C(=O)O)N)O

InChI

InChI=1S/C10H15NO5/c1-16-10(15)5-6(2-3-8(10)12)4-7(11)9(13)14/h2-3,7,12,15H,4-5,11H2,1H3,(H,13,14)