[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3,4,5-tris(oxidanyl)benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C17H15NO8 MolecularWeight: 361.3029

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC(=C(C(=C3)O)O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC(=C(C(=C3)O)O)O

InChI

InChI=1S/C17H15NO8/c19-11-4-10(5-12(20)16(11)22)17(23)24-7-15(21)18-6-9-1-2-13-14(3-9)26-8-25-13/h1-5,19-20,22H,6-8H2,(H,18,21)