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

Systemtic Name: O4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 4-O-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[2-keto-2-(piperonylamino)ethyl] ester Formula: C16H17NO7 MolecularWeight: 335.30868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2

InChI

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