methyl 3-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxidanylidene-prop-1-enyl]furan-2-carboxylate

Systemtic Name: methyl 3-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxidanylidene-prop-1-enyl]furan-2-carboxylate Openeye Name: methyl 3-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxo-prop-1-enyl]furan-2-carboxylate CAS Name: 3-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxoprop-1-enyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxoprop-1-enyl]furan-2-carboxylate Traditional Name: 3-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-keto-prop-1-enyl]furan-2-carboxylic acid methyl ester Formula: C18H16O6 MolecularWeight: 328.31604

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CO1)C=CC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC(=O)C1=C(C=CO1)/C=C/C(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H16O6/c1-21-18(20)17-12(7-10-24-17)3-5-14(19)13-4-6-15-16(11-13)23-9-2-8-22-15/h3-7,10-11H,2,8-9H2,1H3/b5-3+