(E)-4-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-4-keto-but-2-enoic acid Formula: C14H15NO5 MolecularWeight: 277.2726

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)C(=O)C=CC(=O)O

Isomeric SMILES

CN(CC1COC2=CC=CC=C2O1)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C14H15NO5/c1-15(13(16)6-7-14(17)18)8-10-9-19-11-4-2-3-5-12(11)20-10/h2-7,10H,8-9H2,1H3,(H,17,18)/b7-6+