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

Systemtic Name: methyl 4-[(E)-3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethoxy]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethoxy]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethoxy]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C20H17NO7 MolecularWeight: 383.35148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H17NO7/c1-25-20(24)14-5-2-13(3-6-14)4-9-19(23)26-11-18(22)21-15-7-8-16-17(10-15)28-12-27-16/h2-10H,11-12H2,1H3,(H,21,22)/b9-4+