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

Systemtic Name: 5-[[1-(1-adamantyl)-5-chloranyl-6-oxidanylidene-pyridazin-4-yl]amino]-2-chloranyl-benzoic acid Openeye Name: 5-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]-2-chloro-benzoic acid CAS Name: 5-[[1-(1-adamantyl)-5-chloro-6-oxo-4-pyridazinyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]-2-chlorobenzoic acid Traditional Name: 5-[[1-(1-adamantyl)-5-chloro-6-keto-pyridazin-4-yl]amino]-2-chloro-benzoic acid Formula: C21H21Cl2N3O3 MolecularWeight: 434.31574

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NC5=CC(=C(C=C5)Cl)C(=O)O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NC5=CC(=C(C=C5)Cl)C(=O)O)Cl

InChI

InChI=1S/C21H21Cl2N3O3/c22-16-2-1-14(6-15(16)20(28)29)25-17-10-24-26(19(27)18(17)23)21-7-11-3-12(8-21)5-13(4-11)9-21/h1-2,6,10-13,25H,3-5,7-9H2,(H,28,29)