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

Systemtic Name: methyl 3-bromanyl-4-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 3-bromo-4-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethoxy]benzoate CAS Name: 3-bromo-4-[2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]benzoate Traditional Name: 3-bromo-4-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethoxy]benzoic acid methyl ester Formula: C18H20BrNO4 MolecularWeight: 394.2597

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)COC2=C(C=C(C=C2)C(=O)OC)Br)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)COC2=C(C=C(C=C2)C(=O)OC)Br)C

InChI

InChI=1S/C18H20BrNO4/c1-5-20-11(2)8-14(12(20)3)16(21)10-24-17-7-6-13(9-15(17)19)18(22)23-4/h6-9H,5,10H2,1-4H3