ethanoic acid; N-methyl-N-(2-oxidanylideneethyl)-3H-1,2-benzodioxole-6-carboxamide

Systemtic Name: ethanoic acid; N-methyl-N-(2-oxidanylideneethyl)-3H-1,2-benzodioxole-6-carboxamide Openeye Name: acetic acid; N-methyl-N-(2-oxoethyl)-3H-1,2-benzodioxole-6-carboxamide CAS Name: acetic acid; N-methyl-N-(2-oxoethyl)-3H-1,2-benzodioxole-6-carboxamide IUPAC Name: acetic acid; N-methyl-N-(2-oxoethyl)-3H-1,2-benzodioxole-6-carboxamide Traditional Name: acetic acid; N-(2-ketoethyl)-N-methyl-3H-1,2-benzodioxole-6-carboxamide Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CN(CC=O)C(=O)C1=CC2=C(COO2)C=C1

Isomeric SMILES

CC(=O)O.CN(CC=O)C(=O)C1=CC2=C(COO2)C=C1

InChI

InChI=1S/C11H11NO4.C2H4O2/c1-12(4-5-13)11(14)8-2-3-9-7-15-16-10(9)6-8;1-2(3)4/h2-3,5-6H,4,7H2,1H3;1H3,(H,3,4)