2-[4-[1-(2-bromophenyl)ethylamino]-5-chloranyl-6-oxidanylidene-pyridazin-1-yl]benzoic acid

Systemtic Name: 2-[4-[1-(2-bromophenyl)ethylamino]-5-chloranyl-6-oxidanylidene-pyridazin-1-yl]benzoic acid Openeye Name: 2-[4-[1-(2-bromophenyl)ethylamino]-5-chloro-6-oxo-pyridazin-1-yl]benzoic acid CAS Name: 2-[4-[1-(2-bromophenyl)ethylamino]-5-chloro-6-oxo-1-pyridazinyl]benzoic acid IUPAC Name: 2-[4-[1-(2-bromophenyl)ethylamino]-5-chloro-6-oxopyridazin-1-yl]benzoic acid Traditional Name: 2-[4-[1-(2-bromophenyl)ethylamino]-5-chloro-6-keto-pyridazin-1-yl]benzoic acid Formula: C19H15BrClN3O3 MolecularWeight: 448.6977

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Br)NC2=C(C(=O)N(N=C2)C3=CC=CC=C3C(=O)O)Cl

Isomeric SMILES

CC(C1=CC=CC=C1Br)NC2=C(C(=O)N(N=C2)C3=CC=CC=C3C(=O)O)Cl

InChI

InChI=1S/C19H15BrClN3O3/c1-11(12-6-2-4-8-14(12)20)23-15-10-22-24(18(25)17(15)21)16-9-5-3-7-13(16)19(26)27/h2-11,23H,1H3,(H,26,27)