(E)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (E)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-hydroxy-2-keto-4-[methyl(piperonyl)amino]but-3-enoic acid Formula: C13H13NO6 MolecularWeight: 279.24542

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCO2)C(=CC(=O)C(=O)O)O

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCO2)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C13H13NO6/c1-14(12(16)5-9(15)13(17)18)6-8-2-3-10-11(4-8)20-7-19-10/h2-5,16H,6-7H2,1H3,(H,17,18)/b12-5+