3-[[5-(2-ethoxyethoxy)-3-oxidanylidene-2-phenyl-pyridazin-4-yl]amino]benzoic acid

Systemtic Name: 3-[[5-(2-ethoxyethoxy)-3-oxidanylidene-2-phenyl-pyridazin-4-yl]amino]benzoic acid Openeye Name: 3-[[5-(2-ethoxyethoxy)-3-oxo-2-phenyl-pyridazin-4-yl]amino]benzoic acid CAS Name: 3-[[5-(2-ethoxyethoxy)-3-oxo-2-phenyl-4-pyridazinyl]amino]benzoic acid IUPAC Name: 3-[[5-(2-ethoxyethoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]benzoic acid Traditional Name: 3-[[5-(2-ethoxyethoxy)-3-keto-2-phenyl-pyridazin-4-yl]amino]benzoic acid Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=C(C(=O)N(N=C1)C2=CC=CC=C2)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCOCCOC1=C(C(=O)N(N=C1)C2=CC=CC=C2)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H21N3O5/c1-2-28-11-12-29-18-14-22-24(17-9-4-3-5-10-17)20(25)19(18)23-16-8-6-7-15(13-16)21(26)27/h3-10,13-14,23H,2,11-12H2,1H3,(H,26,27)