methyl 4-[(E)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethoxy]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethoxy]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethoxy]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[2-keto-2-(piperonylamino)ethoxy]prop-1-enyl]benzoic acid methyl ester Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H19NO7/c1-26-21(25)16-6-2-14(3-7-16)5-9-20(24)27-12-19(23)22-11-15-4-8-17-18(10-15)29-13-28-17/h2-10H,11-13H2,1H3,(H,22,23)/b9-5+