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

Systemtic Name: 1-(3-bromophenyl)-4-oxidanylidene-6-propyl-pyridazine-3,5-dicarboxylic acid Openeye Name: 1-(3-bromophenyl)-4-oxo-6-propyl-pyridazine-3,5-dicarboxylic acid CAS Name: 1-(3-bromophenyl)-4-oxo-6-propylpyridazine-3,5-dicarboxylic acid IUPAC Name: 1-(3-bromophenyl)-4-oxo-6-propylpyridazine-3,5-dicarboxylic acid Traditional Name: 1-(3-bromophenyl)-4-keto-6-propyl-pyridazine-3,5-dicarboxylic acid Formula: C15H13BrN2O5 MolecularWeight: 381.17812

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)C(=NN1C2=CC(=CC=C2)Br)C(=O)O)C(=O)O

Isomeric SMILES

CCCC1=C(C(=O)C(=NN1C2=CC(=CC=C2)Br)C(=O)O)C(=O)O

InChI

InChI=1S/C15H13BrN2O5/c1-2-4-10-11(14(20)21)13(19)12(15(22)23)17-18(10)9-6-3-5-8(16)7-9/h3,5-7H,2,4H2,1H3,(H,20,21)(H,22,23)