methyl 3-[5-[(E)-3-(1,3-benzodioxol-5-ylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]propanoate

Systemtic Name: methyl 3-[5-[(E)-3-(1,3-benzodioxol-5-ylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]propanoate Openeye Name: methyl 3-[5-[(E)-3-(1,3-benzodioxol-5-ylamino)-3-oxo-prop-1-enyl]-2-furyl]propanoate CAS Name: 3-[5-[(E)-3-(1,3-benzodioxol-5-ylamino)-3-oxoprop-1-enyl]-2-furanyl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-[(E)-3-(1,3-benzodioxol-5-ylamino)-3-oxoprop-1-enyl]furan-2-yl]propanoate Traditional Name: 3-[5-[(E)-3-(1,3-benzodioxol-5-ylamino)-3-keto-prop-1-enyl]-2-furyl]propionic acid methyl ester Formula: C18H17NO6 MolecularWeight: 343.33068

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(O1)C=CC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)CCC1=CC=C(O1)/C=C/C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H17NO6/c1-22-18(21)9-6-14-4-3-13(25-14)5-8-17(20)19-12-2-7-15-16(10-12)24-11-23-15/h2-5,7-8,10H,6,9,11H2,1H3,(H,19,20)/b8-5+