dimethyl 5-[[4-(4-bromophenyl)-4-oxidanylidene-butanoyl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-(4-bromophenyl)-4-oxidanylidene-butanoyl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(4-bromophenyl)-4-oxo-butanoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[4-(4-bromophenyl)-1,4-dioxobutyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(4-bromophenyl)-4-keto-butanoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H18BrNO6 MolecularWeight: 448.26402

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CCC(=O)C2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CCC(=O)C2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C20H18BrNO6/c1-27-19(25)13-9-14(20(26)28-2)11-16(10-13)22-18(24)8-7-17(23)12-3-5-15(21)6-4-12/h3-6,9-11H,7-8H2,1-2H3,(H,22,24)