butyl 4-[[1-(4-chlorophenyl)-4-oxidanylidene-pyridazin-3-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[1-(4-chlorophenyl)-4-oxidanylidene-pyridazin-3-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[1-(4-chlorophenyl)-4-oxo-pyridazine-3-carbonyl]amino]benzoate CAS Name: 4-[[[1-(4-chlorophenyl)-4-oxo-3-pyridazinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[1-(4-chlorophenyl)-4-oxopyridazine-3-carbonyl]amino]benzoate Traditional Name: 4-[[1-(4-chlorophenyl)-4-keto-pyridazine-3-carbonyl]amino]benzoic acid butyl ester Formula: C22H20ClN3O4 MolecularWeight: 425.8649

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C=CC2=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C=CC2=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H20ClN3O4/c1-2-3-14-30-22(29)15-4-8-17(9-5-15)24-21(28)20-19(27)12-13-26(25-20)18-10-6-16(23)7-11-18/h4-13H,2-3,14H2,1H3,(H,24,28)