2-azanyl-3-(1,3-benzodioxol-5-yl)-3-oxidanyl-propanoic acid; ethanoic acid

Systemtic Name: 2-azanyl-3-(1,3-benzodioxol-5-yl)-3-oxidanyl-propanoic acid; ethanoic acid Openeye Name: acetic acid; 2-amino-3-(1,3-benzodioxol-5-yl)-3-hydroxy-propanoic acid CAS Name: acetic acid; 2-amino-3-(1,3-benzodioxol-5-yl)-3-hydroxypropanoic acid IUPAC Name: acetic acid; 2-amino-3-(1,3-benzodioxol-5-yl)-3-hydroxypropanoic acid Traditional Name: acetic acid; 2-amino-3-(1,3-benzodioxol-5-yl)-3-hydroxy-propionic acid Formula: C12H15NO7 MolecularWeight: 285.25

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1OC2=C(O1)C=C(C=C2)C(C(C(=O)O)N)O

Isomeric SMILES

CC(=O)O.C1OC2=C(O1)C=C(C=C2)C(C(C(=O)O)N)O

InChI

InChI=1S/C10H11NO5.C2H4O2/c11-8(10(13)14)9(12)5-1-2-6-7(3-5)16-4-15-6;1-2(3)4/h1-3,8-9,12H,4,11H2,(H,13,14);1H3,(H,3,4)