1-(4-bromophenyl)-6-ethyl-4-oxidanylidene-pyridazine-3,5-dicarboxylic acid

Systemtic Name: 1-(4-bromophenyl)-6-ethyl-4-oxidanylidene-pyridazine-3,5-dicarboxylic acid Openeye Name: 1-(4-bromophenyl)-6-ethyl-4-oxo-pyridazine-3,5-dicarboxylic acid CAS Name: 1-(4-bromophenyl)-6-ethyl-4-oxopyridazine-3,5-dicarboxylic acid IUPAC Name: 1-(4-bromophenyl)-6-ethyl-4-oxopyridazine-3,5-dicarboxylic acid Traditional Name: 1-(4-bromophenyl)-6-ethyl-4-keto-pyridazine-3,5-dicarboxylic acid Formula: C14H11BrN2O5 MolecularWeight: 367.15154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C(=NN1C2=CC=C(C=C2)Br)C(=O)O)C(=O)O

Isomeric SMILES

CCC1=C(C(=O)C(=NN1C2=CC=C(C=C2)Br)C(=O)O)C(=O)O

InChI

InChI=1S/C14H11BrN2O5/c1-2-9-10(13(19)20)12(18)11(14(21)22)16-17(9)8-5-3-7(15)4-6-8/h3-6H,2H2,1H3,(H,19,20)(H,21,22)