3-[[5-(4-chloranyl-3-methyl-phenoxy)-2-methyl-3-oxidanylidene-pyridazin-4-yl]amino]benzoic acid

Systemtic Name: 3-[[5-(4-chloranyl-3-methyl-phenoxy)-2-methyl-3-oxidanylidene-pyridazin-4-yl]amino]benzoic acid Openeye Name: 3-[[5-(4-chloro-3-methyl-phenoxy)-2-methyl-3-oxo-pyridazin-4-yl]amino]benzoic acid CAS Name: 3-[[5-(4-chloro-3-methylphenoxy)-2-methyl-3-oxo-4-pyridazinyl]amino]benzoic acid IUPAC Name: 3-[[5-(4-chloro-3-methylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]benzoic acid Traditional Name: 3-[[5-(4-chloro-3-methyl-phenoxy)-3-keto-2-methyl-pyridazin-4-yl]amino]benzoic acid Formula: C19H16ClN3O4 MolecularWeight: 385.80104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(C(=O)N(N=C2)C)NC3=CC=CC(=C3)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C(=O)N(N=C2)C)NC3=CC=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C19H16ClN3O4/c1-11-8-14(6-7-15(11)20)27-16-10-21-23(2)18(24)17(16)22-13-5-3-4-12(9-13)19(25)26/h3-10,22H,1-2H3,(H,25,26)