methyl 2-[5-chloranyl-6-oxidanylidene-4-(3-oxidanylpropylamino)pyridazin-1-yl]benzoate

Systemtic Name: methyl 2-[5-chloranyl-6-oxidanylidene-4-(3-oxidanylpropylamino)pyridazin-1-yl]benzoate Openeye Name: methyl 2-[5-chloro-4-(3-hydroxypropylamino)-6-oxo-pyridazin-1-yl]benzoate CAS Name: 2-[5-chloro-4-(3-hydroxypropylamino)-6-oxo-1-pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-chloro-4-(3-hydroxypropylamino)-6-oxopyridazin-1-yl]benzoate Traditional Name: 2-[5-chloro-4-(3-hydroxypropylamino)-6-keto-pyridazin-1-yl]benzoic acid methyl ester Formula: C15H16ClN3O4 MolecularWeight: 337.75824

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N2C(=O)C(=C(C=N2)NCCCO)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1N2C(=O)C(=C(C=N2)NCCCO)Cl

InChI

InChI=1S/C15H16ClN3O4/c1-23-15(22)10-5-2-3-6-12(10)19-14(21)13(16)11(9-18-19)17-7-4-8-20/h2-3,5-6,9,17,20H,4,7-8H2,1H3