4-chloranyl-2-methyl-6-nitro-5-[3-oxidanylpropyl-(phenylmethyl)amino]pyridazin-3-one

Systemtic Name: 4-chloranyl-2-methyl-6-nitro-5-[3-oxidanylpropyl-(phenylmethyl)amino]pyridazin-3-one Openeye Name: 5-[benzyl(3-hydroxypropyl)amino]-4-chloro-2-methyl-6-nitro-pyridazin-3-one CAS Name: 4-chloro-5-[3-hydroxypropyl-(phenylmethyl)amino]-2-methyl-6-nitro-3-pyridazinone IUPAC Name: 5-[benzyl(3-hydroxypropyl)amino]-4-chloro-2-methyl-6-nitropyridazin-3-one Traditional Name: 5-[benzyl(3-hydroxypropyl)amino]-4-chloro-2-methyl-6-nitro-pyridazin-3-one Formula: C15H17ClN4O4 MolecularWeight: 352.77288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C(=N1)[N+](=O)[O-])N(CCCO)CC2=CC=CC=C2)Cl

Isomeric SMILES

CN1C(=O)C(=C(C(=N1)[N+](=O)[O-])N(CCCO)CC2=CC=CC=C2)Cl

InChI

InChI=1S/C15H17ClN4O4/c1-18-15(22)12(16)13(14(17-18)20(23)24)19(8-5-9-21)10-11-6-3-2-4-7-11/h2-4,6-7,21H,5,8-10H2,1H3