2-[6-[2-(2-carboxy-3,4-dimethoxy-phenyl)-2-oxidanylidene-ethyl]-7-methoxy-1,3-benzodioxol-5-yl]-N-methyl-ethanamine oxide

Systemtic Name: 2-[6-[2-(2-carboxy-3,4-dimethoxy-phenyl)-2-oxidanylidene-ethyl]-7-methoxy-1,3-benzodioxol-5-yl]-N-methyl-ethanamine oxide Openeye Name: 2-[6-[2-(2-carboxy-3,4-dimethoxy-phenyl)-2-oxo-ethyl]-7-methoxy-1,3-benzodioxol-5-yl]-N-methyl-ethanamine oxide CAS Name: 2-[6-[2-(2-carboxy-3,4-dimethoxyphenyl)-2-oxoethyl]-7-methoxy-1,3-benzodioxol-5-yl]-N-methylethanamine oxide IUPAC Name: 2-[6-[2-(2-carboxy-3,4-dimethoxyphenyl)-2-oxoethyl]-7-methoxy-1,3-benzodioxol-5-yl]-N-methylethanamine oxide Traditional Name: 2-[6-[2-(2-carboxy-3,4-dimethoxy-phenyl)-2-keto-ethyl]-7-methoxy-1,3-benzodioxol-5-yl]-N-methyl-ethanamine oxide Formula: C22H25NO9 MolecularWeight: 447.4352

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC2=C(C(=C1CC(=O)C3=C(C(=C(C=C3)OC)OC)C(=O)O)OC)OCO2)[O-]

Isomeric SMILES

C[NH+](CCC1=CC2=C(C(=C1CC(=O)C3=C(C(=C(C=C3)OC)OC)C(=O)O)OC)OCO2)[O-]

InChI

InChI=1S/C22H25NO9/c1-23(27)8-7-12-9-17-21(32-11-31-17)19(29-3)14(12)10-15(24)13-5-6-16(28-2)20(30-4)18(13)22(25)26/h5-6,9,23H,7-8,10-11H2,1-4H3,(H,25,26)