5-bromanyl-4-[(3-butoxy-4-methoxy-phenyl)methylamino]-3-nitro-1H-pyridazin-6-one

Systemtic Name: 5-bromanyl-4-[(3-butoxy-4-methoxy-phenyl)methylamino]-3-nitro-1H-pyridazin-6-one Openeye Name: 5-bromo-4-[(3-butoxy-4-methoxy-phenyl)methylamino]-3-nitro-1H-pyridazin-6-one CAS Name: 5-bromo-4-[(3-butoxy-4-methoxyphenyl)methylamino]-3-nitro-1H-pyridazin-6-one IUPAC Name: 5-bromo-4-[(3-butoxy-4-methoxyphenyl)methylamino]-3-nitro-1H-pyridazin-6-one Traditional Name: 5-bromo-4-[(3-butoxy-4-methoxy-benzyl)amino]-3-nitro-1H-pyridazin-6-one Formula: C16H19BrN4O5 MolecularWeight: 427.24986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN4O5/c1-3-4-7-26-12-8-10(5-6-11(12)25-2)9-18-14-13(17)16(22)20-19-15(14)21(23)24/h5-6,8H,3-4,7,9H2,1-2H3,(H2,18,20,22)