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

Systemtic Name: 3-[[5-(2-methoxy-4-methyl-phenoxy)-2-methyl-3-oxidanylidene-pyridazin-4-yl]amino]benzoic acid Openeye Name: 3-[[5-(2-methoxy-4-methyl-phenoxy)-2-methyl-3-oxo-pyridazin-4-yl]amino]benzoic acid CAS Name: 3-[[5-(2-methoxy-4-methylphenoxy)-2-methyl-3-oxo-4-pyridazinyl]amino]benzoic acid IUPAC Name: 3-[[5-(2-methoxy-4-methylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]benzoic acid Traditional Name: 3-[[3-keto-5-(2-methoxy-4-methyl-phenoxy)-2-methyl-pyridazin-4-yl]amino]benzoic acid Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5/c1-12-7-8-15(16(9-12)27-3)28-17-11-21-23(2)19(24)18(17)22-14-6-4-5-13(10-14)20(25)26/h4-11,22H,1-3H3,(H,25,26)