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

Systemtic Name: 3-[4-[[2-[[3-(2-chloranyl-5-nitro-phenoxy)-2-oxidanyl-propyl]amino]-2-methyl-propyl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[4-[[2-[[3-(2-chloro-5-nitro-phenoxy)-2-hydroxy-propyl]amino]-2-methyl-propyl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[4-[[2-[[3-(2-chloro-5-nitrophenoxy)-2-hydroxypropyl]amino]-2-methylpropyl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-[4-[[2-[[3-(2-chloro-5-nitrophenoxy)-2-hydroxypropyl]amino]-2-methylpropyl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[4-[[2-[[3-(2-chloro-5-nitro-phenoxy)-2-hydroxy-propyl]amino]-2-methyl-propyl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Formula: C24H30ClN5O5 MolecularWeight: 503.9785

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC=C(C=C2)NCC(C)(C)NCC(COC3=C(C=CC(=C3)[N+](=O)[O-])Cl)O

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC=C(C=C2)NCC(C)(C)NCC(COC3=C(C=CC(=C3)[N+](=O)[O-])Cl)O

InChI

InChI=1S/C24H30ClN5O5/c1-15-10-22(32)28-29-23(15)16-4-6-17(7-5-16)26-14-24(2,3)27-12-19(31)13-35-21-11-18(30(33)34)8-9-20(21)25/h4-9,11,15,19,26-27,31H,10,12-14H2,1-3H3,(H,28,32)