4-chloranyl-5-[(4-methoxy-3-propoxy-phenyl)methylamino]-6-nitro-2-propan-2-yl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[(4-methoxy-3-propoxy-phenyl)methylamino]-6-nitro-2-propan-2-yl-pyridazin-3-one Openeye Name: 4-chloro-2-isopropyl-5-[(4-methoxy-3-propoxy-phenyl)methylamino]-6-nitro-pyridazin-3-one CAS Name: 4-chloro-5-[(4-methoxy-3-propoxyphenyl)methylamino]-6-nitro-2-propan-2-yl-3-pyridazinone IUPAC Name: 4-chloro-5-[(4-methoxy-3-propoxyphenyl)methylamino]-6-nitro-2-propan-2-ylpyridazin-3-one Traditional Name: 4-chloro-2-isopropyl-5-[(4-methoxy-3-propoxy-benzyl)amino]-6-nitro-pyridazin-3-one Formula: C18H23ClN4O5 MolecularWeight: 410.85202

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)CNC2=C(C(=O)N(N=C2[N+](=O)[O-])C(C)C)Cl)OC

Isomeric SMILES

CCCOC1=C(C=CC(=C1)CNC2=C(C(=O)N(N=C2[N+](=O)[O-])C(C)C)Cl)OC

InChI

InChI=1S/C18H23ClN4O5/c1-5-8-28-14-9-12(6-7-13(14)27-4)10-20-16-15(19)18(24)22(11(2)3)21-17(16)23(25)26/h6-7,9,11,20H,5,8,10H2,1-4H3