methyl 3-bromanyl-4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 3-bromanyl-4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 3-bromo-4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethoxy]benzoate CAS Name: 3-bromo-4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethoxy]benzoate Traditional Name: 3-bromo-4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethoxy]benzoic acid methyl ester Formula: C19H18BrNO6 MolecularWeight: 436.25332

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OCCCO3)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OCCCO3)Br

InChI

InChI=1S/C19H18BrNO6/c1-24-19(23)12-3-5-15(14(20)9-12)27-11-18(22)21-13-4-6-16-17(10-13)26-8-2-7-25-16/h3-6,9-10H,2,7-8,11H2,1H3,(H,21,22)