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

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 3-bromanyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 3-bromo-4-ethoxy-5-methoxy-benzoate CAS Name: 3-bromo-4-ethoxy-5-methoxybenzoic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate Traditional Name: 3-bromo-4-ethoxy-5-methoxy-benzoic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C20H22BrNO6 MolecularWeight: 452.29578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)C2=C(C(=C(N2)C)C(=O)C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)C2=C(C(=C(N2)C)C(=O)C)C)OC

InChI

InChI=1S/C20H22BrNO6/c1-6-27-19-14(21)7-13(8-16(19)26-5)20(25)28-9-15(24)18-10(2)17(12(4)23)11(3)22-18/h7-8,22H,6,9H2,1-5H3