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

Systemtic Name: 4-[5-chloranyl-4-[1-(2-methylphenyl)ethylamino]-6-oxidanylidene-pyridazin-1-yl]benzoic acid Openeye Name: 4-[5-chloro-4-[1-(o-tolyl)ethylamino]-6-oxo-pyridazin-1-yl]benzoic acid CAS Name: 4-[5-chloro-4-[1-(2-methylphenyl)ethylamino]-6-oxo-1-pyridazinyl]benzoic acid IUPAC Name: 4-[5-chloro-4-[1-(2-methylphenyl)ethylamino]-6-oxopyridazin-1-yl]benzoic acid Traditional Name: 4-[5-chloro-6-keto-4-[1-(o-tolyl)ethylamino]pyridazin-1-yl]benzoic acid Formula: C20H18ClN3O3 MolecularWeight: 383.82822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC2=C(C(=O)N(N=C2)C3=CC=C(C=C3)C(=O)O)Cl

Isomeric SMILES

CC1=CC=CC=C1C(C)NC2=C(C(=O)N(N=C2)C3=CC=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C20H18ClN3O3/c1-12-5-3-4-6-16(12)13(2)23-17-11-22-24(19(25)18(17)21)15-9-7-14(8-10-15)20(26)27/h3-11,13,23H,1-2H3,(H,26,27)