(2-bromanyl-4,5-dimethoxy-phenyl)-(5-nitrofuran-2-yl)methanamine

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)-(5-nitrofuran-2-yl)methanamine Openeye Name: (2-bromo-4,5-dimethoxy-phenyl)-(5-nitro-2-furyl)methanamine CAS Name: (2-bromo-4,5-dimethoxyphenyl)-(5-nitro-2-furanyl)methanamine IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)-(5-nitrofuran-2-yl)methanamine Traditional Name: [(2-bromo-4,5-dimethoxy-phenyl)-(5-nitro-2-furyl)methyl]amine Formula: C13H13BrN2O5 MolecularWeight: 357.15672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CC=C(O2)[N+](=O)[O-])N)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC=C(O2)[N+](=O)[O-])N)Br)OC

InChI

InChI=1S/C13H13BrN2O5/c1-19-10-5-7(8(14)6-11(10)20-2)13(15)9-3-4-12(21-9)16(17)18/h3-6,13H,15H2,1-2H3