methyl 4-[[5-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethoxy]-5-oxidanylidene-pentanoyl]amino]benzoate

Systemtic Name: methyl 4-[[5-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethoxy]-5-oxidanylidene-pentanoyl]amino]benzoate Openeye Name: methyl 4-[[5-[2-(4-bromoanilino)-2-oxo-ethoxy]-5-oxo-pentanoyl]amino]benzoate CAS Name: 4-[[5-[2-(4-bromoanilino)-2-oxoethoxy]-1,5-dioxopentyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[2-(4-bromoanilino)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate Traditional Name: 4-[[5-[2-(4-bromoanilino)-2-keto-ethoxy]-5-keto-pentanoyl]amino]benzoic acid methyl ester Formula: C21H21BrN2O6 MolecularWeight: 477.30524

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCCC(=O)OCC(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCCC(=O)OCC(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C21H21BrN2O6/c1-29-21(28)14-5-9-16(10-6-14)23-18(25)3-2-4-20(27)30-13-19(26)24-17-11-7-15(22)8-12-17/h5-12H,2-4,13H2,1H3,(H,23,25)(H,24,26)