diethyl 2-[[1,3-benzodioxol-5-yl-(phenylmethyl)amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[1,3-benzodioxol-5-yl-(phenylmethyl)amino]methylidene]propanedioate Openeye Name: diethyl 2-[[1,3-benzodioxol-5-yl(benzyl)amino]methylene]propanedioate CAS Name: 2-[[1,3-benzodioxol-5-yl-(phenylmethyl)amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[1,3-benzodioxol-5-yl(benzyl)amino]methylidene]propanedioate Traditional Name: 2-[[1,3-benzodioxol-5-yl(benzyl)amino]methylene]malonic acid diethyl ester Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CN(CC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CN(CC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3)C(=O)OCC

InChI

InChI=1S/C22H23NO6/c1-3-26-21(24)18(22(25)27-4-2)14-23(13-16-8-6-5-7-9-16)17-10-11-19-20(12-17)29-15-28-19/h5-12,14H,3-4,13,15H2,1-2H3