(E)-4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-4-keto-but-2-enoic acid Formula: C15H17NO5 MolecularWeight: 291.29918

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCCO2)C(=O)C=CC(=O)O

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCCO2)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C15H17NO5/c1-2-16(14(17)5-6-15(18)19)10-11-3-4-12-13(9-11)21-8-7-20-12/h3-6,9H,2,7-8,10H2,1H3,(H,18,19)/b6-5+