dimethyl (E)-2-(1,3-benzodioxol-5-ylamino)but-2-enedioate

Systemtic Name: dimethyl (E)-2-(1,3-benzodioxol-5-ylamino)but-2-enedioate Openeye Name: dimethyl (E)-2-(1,3-benzodioxol-5-ylamino)but-2-enedioate CAS Name: (E)-2-(1,3-benzodioxol-5-ylamino)-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-(1,3-benzodioxol-5-ylamino)but-2-enedioate Traditional Name: (E)-2-(1,3-benzodioxol-5-ylamino)but-2-enedioic acid dimethyl ester Formula: C13H13NO6 MolecularWeight: 279.24542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C(=O)OC)NC1=CC2=C(C=C1)OCO2

Isomeric SMILES

COC(=O)/C=C(\C(=O)OC)/NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H13NO6/c1-17-12(15)6-9(13(16)18-2)14-8-3-4-10-11(5-8)20-7-19-10/h3-6,14H,7H2,1-2H3/b9-6+