dimethyl 2-[4-[3-(4-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]butanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[4-[3-(4-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]butanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[4-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]butanoylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[4-[3-(4-bromophenyl)-6-oxo-1-pyridazinyl]-1-oxobutyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanoylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[4-[3-(4-bromophenyl)-6-keto-pyridazin-1-yl]butanoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C24H22BrN3O6 MolecularWeight: 528.35198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C24H22BrN3O6/c1-33-23(31)16-7-10-18(24(32)34-2)20(14-16)26-21(29)4-3-13-28-22(30)12-11-19(27-28)15-5-8-17(25)9-6-15/h5-12,14H,3-4,13H2,1-2H3,(H,26,29)