ethyl 4-[[4-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethoxy]-4-oxidanylidene-butanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[4-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethoxy]-4-oxidanylidene-butanoyl]amino]benzoate Openeye Name: ethyl 4-[[4-[2-(4-bromo-3-methyl-anilino)-2-oxo-ethoxy]-4-oxo-butanoyl]amino]benzoate CAS Name: 4-[[4-[2-(4-bromo-3-methylanilino)-2-oxoethoxy]-1,4-dioxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[2-(4-bromo-3-methylanilino)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate Traditional Name: 4-[[4-[2-(4-bromo-3-methyl-anilino)-2-keto-ethoxy]-4-keto-butanoyl]amino]benzoic acid ethyl ester Formula: C22H23BrN2O6 MolecularWeight: 491.33182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)OCC(=O)NC2=CC(=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)OCC(=O)NC2=CC(=C(C=C2)Br)C

InChI

InChI=1S/C22H23BrN2O6/c1-3-30-22(29)15-4-6-16(7-5-15)24-19(26)10-11-21(28)31-13-20(27)25-17-8-9-18(23)14(2)12-17/h4-9,12H,3,10-11,13H2,1-2H3,(H,24,26)(H,25,27)