1-(2-bromophenyl)-6-butyl-4-oxidanylidene-pyridazine-3,5-dicarboxylic acid

Systemtic Name: 1-(2-bromophenyl)-6-butyl-4-oxidanylidene-pyridazine-3,5-dicarboxylic acid Openeye Name: 1-(2-bromophenyl)-6-butyl-4-oxo-pyridazine-3,5-dicarboxylic acid CAS Name: 1-(2-bromophenyl)-6-butyl-4-oxopyridazine-3,5-dicarboxylic acid IUPAC Name: 1-(2-bromophenyl)-6-butyl-4-oxopyridazine-3,5-dicarboxylic acid Traditional Name: 1-(2-bromophenyl)-6-butyl-4-keto-pyridazine-3,5-dicarboxylic acid Formula: C16H15BrN2O5 MolecularWeight: 395.2047

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)C(=NN1C2=CC=CC=C2Br)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=C(C(=O)C(=NN1C2=CC=CC=C2Br)C(=O)O)C(=O)O

InChI

InChI=1S/C16H15BrN2O5/c1-2-3-7-11-12(15(21)22)14(20)13(16(23)24)18-19(11)10-8-5-4-6-9(10)17/h4-6,8H,2-3,7H2,1H3,(H,21,22)(H,23,24)