O4-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 4-O-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester O1-ethyl ester Formula: C15H15NO7 MolecularWeight: 321.2821

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)NC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C15H15NO7/c1-2-20-14(18)5-6-15(19)21-8-13(17)16-10-3-4-11-12(7-10)23-9-22-11/h3-7H,2,8-9H2,1H3,(H,16,17)/b6-5+