methyl 2-[(11Z)-9-bromanyl-11-(3-oxidanylpropylidene)-6H-benzo[c][1]benzoxepin-2-yl]ethanoate

Systemtic Name: methyl 2-[(11Z)-9-bromanyl-11-(3-oxidanylpropylidene)-6H-benzo[c][1]benzoxepin-2-yl]ethanoate Openeye Name: methyl 2-[(11Z)-9-bromo-11-(3-hydroxypropylidene)-6H-benzo[c][1]benzoxepin-2-yl]acetate CAS Name: 2-[(11Z)-9-bromo-11-(3-hydroxypropylidene)-6H-benzo[c][1]benzoxepin-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(11Z)-9-bromo-11-(3-hydroxypropylidene)-6H-benzo[c][1]benzoxepin-2-yl]acetate Traditional Name: 2-[(11Z)-9-bromo-11-(3-hydroxypropylidene)-6H-benzo[c][1]benzoxepin-2-yl]acetic acid methyl ester Formula: C20H19BrO4 MolecularWeight: 403.26646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC2=C(C=C1)OCC3=C(C2=CCCO)C=C(C=C3)Br

Isomeric SMILES

COC(=O)CC1=CC\2=C(C=C1)OCC3=C(/C2=C/CCO)C=C(C=C3)Br

InChI

InChI=1S/C20H19BrO4/c1-24-20(23)10-13-4-7-19-18(9-13)16(3-2-8-22)17-11-15(21)6-5-14(17)12-25-19/h3-7,9,11,22H,2,8,10,12H2,1H3/b16-3-