4-(4-azanyl-5-chloranyl-6-oxidanylidene-pyridazin-1-yl)butyl benzoate

Systemtic Name: 4-(4-azanyl-5-chloranyl-6-oxidanylidene-pyridazin-1-yl)butyl benzoate Openeye Name: 4-(4-amino-5-chloro-6-oxo-pyridazin-1-yl)butyl benzoate CAS Name: benzoic acid 4-(4-amino-5-chloro-6-oxo-1-pyridazinyl)butyl ester IUPAC Name: 4-(4-amino-5-chloro-6-oxopyridazin-1-yl)butyl benzoate Traditional Name: benzoic acid 4-(4-amino-5-chloro-6-keto-pyridazin-1-yl)butyl ester Formula: C15H16ClN3O3 MolecularWeight: 321.75884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCCCN2C(=O)C(=C(C=N2)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCCCN2C(=O)C(=C(C=N2)N)Cl

InChI

InChI=1S/C15H16ClN3O3/c16-13-12(17)10-18-19(14(13)20)8-4-5-9-22-15(21)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9,17H2