methyl 3-bromanyl-4-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 3-bromanyl-4-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethoxy]-3-bromo-benzoate CAS Name: 4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethoxy]-3-bromobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethoxy]-3-bromobenzoate Traditional Name: 4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethoxy]-3-bromo-benzoic acid methyl ester Formula: C19H16BrNO7 MolecularWeight: 450.23684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)COC3=C(C=C(C=C3)C(=O)OC)Br)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)COC3=C(C=C(C=C3)C(=O)OC)Br)OCO2

InChI

InChI=1S/C19H16BrNO7/c1-10(22)12-6-16-17(28-9-27-16)7-14(12)21-18(23)8-26-15-4-3-11(5-13(15)20)19(24)25-2/h3-7H,8-9H2,1-2H3,(H,21,23)