4-bromanyl-5-[(3-butoxy-4-methoxy-phenyl)methylamino]-2-ethyl-6-nitro-pyridazin-3-one

Systemtic Name: 4-bromanyl-5-[(3-butoxy-4-methoxy-phenyl)methylamino]-2-ethyl-6-nitro-pyridazin-3-one Openeye Name: 4-bromo-5-[(3-butoxy-4-methoxy-phenyl)methylamino]-2-ethyl-6-nitro-pyridazin-3-one CAS Name: 4-bromo-5-[(3-butoxy-4-methoxyphenyl)methylamino]-2-ethyl-6-nitro-3-pyridazinone IUPAC Name: 4-bromo-5-[(3-butoxy-4-methoxyphenyl)methylamino]-2-ethyl-6-nitropyridazin-3-one Traditional Name: 4-bromo-5-[(3-butoxy-4-methoxy-benzyl)amino]-2-ethyl-6-nitro-pyridazin-3-one Formula: C18H23BrN4O5 MolecularWeight: 455.30302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)CNC2=C(C(=O)N(N=C2[N+](=O)[O-])CC)Br)OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)CNC2=C(C(=O)N(N=C2[N+](=O)[O-])CC)Br)OC

InChI

InChI=1S/C18H23BrN4O5/c1-4-6-9-28-14-10-12(7-8-13(14)27-3)11-20-16-15(19)18(24)22(5-2)21-17(16)23(25)26/h7-8,10,20H,4-6,9,11H2,1-3H3