3-[4-(3-chloranyl-2-oxidanyl-propoxy)-3-nitro-phenyl]-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 3-[4-(3-chloranyl-2-oxidanyl-propoxy)-3-nitro-phenyl]-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[4-(3-chloro-2-hydroxy-propoxy)-3-nitro-phenyl]-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[4-(3-chloro-2-hydroxypropoxy)-3-nitrophenyl]-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-[4-(3-chloro-2-hydroxypropoxy)-3-nitrophenyl]-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[4-(3-chloro-2-hydroxy-propoxy)-3-nitro-phenyl]-4,5-dihydro-1H-pyridazin-6-one Formula: C13H14ClN3O5 MolecularWeight: 327.72036

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NN=C1C2=CC(=C(C=C2)OCC(CCl)O)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)NN=C1C2=CC(=C(C=C2)OCC(CCl)O)[N+](=O)[O-]

InChI

InChI=1S/C13H14ClN3O5/c14-6-9(18)7-22-12-3-1-8(5-11(12)17(20)21)10-2-4-13(19)16-15-10/h1,3,5,9,18H,2,4,6-7H2,(H,16,19)