methyl 3-bromanyl-4-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 3-bromanyl-4-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 4-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethoxy]-3-bromo-benzoate CAS Name: 4-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethoxy]-3-bromobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethoxy]-3-bromobenzoate Traditional Name: 4-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethoxy]-3-bromo-benzoic acid methyl ester Formula: C18H18BrNO5 MolecularWeight: 408.24322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)COC2=C(C=C(C=C2)C(=O)OC)Br

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)COC2=C(C=C(C=C2)C(=O)OC)Br

InChI

InChI=1S/C18H18BrNO5/c1-9-16(11(3)21)10(2)20-17(9)14(22)8-25-15-6-5-12(7-13(15)19)18(23)24-4/h5-7,20H,8H2,1-4H3