O4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 4-O-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester O1-ethyl ester Formula: C16H17NO7 MolecularWeight: 335.30868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)NC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)NC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C16H17NO7/c1-2-21-15(19)5-6-16(20)24-10-14(18)17-11-3-4-12-13(9-11)23-8-7-22-12/h3-6,9H,2,7-8,10H2,1H3,(H,17,18)/b6-5+