4-[5-chloranyl-4-(methylamino)-6-oxidanylidene-pyridazin-1-yl]butyl benzoate

Systemtic Name: 4-[5-chloranyl-4-(methylamino)-6-oxidanylidene-pyridazin-1-yl]butyl benzoate Openeye Name: 4-[5-chloro-4-(methylamino)-6-oxo-pyridazin-1-yl]butyl benzoate CAS Name: benzoic acid 4-[5-chloro-4-(methylamino)-6-oxo-1-pyridazinyl]butyl ester IUPAC Name: 4-[5-chloro-4-(methylamino)-6-oxopyridazin-1-yl]butyl benzoate Traditional Name: benzoic acid 4-[5-chloro-6-keto-4-(methylamino)pyridazin-1-yl]butyl ester Formula: C16H18ClN3O3 MolecularWeight: 335.78542

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=O)N(N=C1)CCCCOC(=O)C2=CC=CC=C2)Cl

Isomeric SMILES

CNC1=C(C(=O)N(N=C1)CCCCOC(=O)C2=CC=CC=C2)Cl

InChI

InChI=1S/C16H18ClN3O3/c1-18-13-11-19-20(15(21)14(13)17)9-5-6-10-23-16(22)12-7-3-2-4-8-12/h2-4,7-8,11,18H,5-6,9-10H2,1H3