3-[(5-ethanoyl-2-ethyl-3-oxidanylidene-6-phenyl-pyridazin-4-yl)amino]benzoic acid

Systemtic Name: 3-[(5-ethanoyl-2-ethyl-3-oxidanylidene-6-phenyl-pyridazin-4-yl)amino]benzoic acid Openeye Name: 3-[(5-acetyl-2-ethyl-3-oxo-6-phenyl-pyridazin-4-yl)amino]benzoic acid CAS Name: 3-[(5-acetyl-2-ethyl-3-oxo-6-phenyl-4-pyridazinyl)amino]benzoic acid IUPAC Name: 3-[(5-acetyl-2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino]benzoic acid Traditional Name: 3-[(5-acetyl-2-ethyl-3-keto-6-phenyl-pyridazin-4-yl)amino]benzoic acid Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H19N3O4/c1-3-24-20(26)19(22-16-11-7-10-15(12-16)21(27)28)17(13(2)25)18(23-24)14-8-5-4-6-9-14/h4-12,22H,3H2,1-2H3,(H,27,28)