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

Systemtic Name: 2-azanyl-3-[3,4-diethanoyl-3,4-bis(oxidanyl)cyclohexa-1,5-dien-1-yl]propanoic acid Openeye Name: 2-amino-3-(3,4-diacetyl-3,4-dihydroxy-cyclohexa-1,5-dien-1-yl)propanoic acid CAS Name: 2-amino-3-(3,4-diacetyl-3,4-dihydroxy-1-cyclohexa-1,5-dienyl)propanoic acid IUPAC Name: 2-amino-3-(3,4-diacetyl-3,4-dihydroxycyclohexa-1,5-dien-1-yl)propanoic acid Traditional Name: 2-amino-3-(3,4-diacetyl-3,4-dihydroxy-cyclohexa-1,5-dien-1-yl)propionic acid Formula: C13H17NO6 MolecularWeight: 283.27718

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C=CC(=CC1(C(=O)C)O)CC(C(=O)O)N)O

Isomeric SMILES

CC(=O)C1(C=CC(=CC1(C(=O)C)O)CC(C(=O)O)N)O

InChI

InChI=1S/C13H17NO6/c1-7(15)12(19)4-3-9(5-10(14)11(17)18)6-13(12,20)8(2)16/h3-4,6,10,19-20H,5,14H2,1-2H3,(H,17,18)