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

Systemtic Name: 3-[[5-(2,3-dimethylphenoxy)-2-methyl-3-oxidanylidene-pyridazin-4-yl]amino]benzoic acid Openeye Name: 3-[[5-(2,3-dimethylphenoxy)-2-methyl-3-oxo-pyridazin-4-yl]amino]benzoic acid CAS Name: 3-[[5-(2,3-dimethylphenoxy)-2-methyl-3-oxo-4-pyridazinyl]amino]benzoic acid IUPAC Name: 3-[[5-(2,3-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]benzoic acid Traditional Name: 3-[[5-(2,3-dimethylphenoxy)-3-keto-2-methyl-pyridazin-4-yl]amino]benzoic acid Formula: C20H19N3O4 MolecularWeight: 365.38256

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4/c1-12-6-4-9-16(13(12)2)27-17-11-21-23(3)19(24)18(17)22-15-8-5-7-14(10-15)20(25)26/h4-11,22H,1-3H3,(H,25,26)