(5-bromanylpyridin-3-yl)-(3-methyl-5-nitro-phenyl)methanamine

Systemtic Name: (5-bromanylpyridin-3-yl)-(3-methyl-5-nitro-phenyl)methanamine Openeye Name: (5-bromo-3-pyridyl)-(3-methyl-5-nitro-phenyl)methanamine CAS Name: (5-bromo-3-pyridinyl)-(3-methyl-5-nitrophenyl)methanamine IUPAC Name: (5-bromopyridin-3-yl)-(3-methyl-5-nitrophenyl)methanamine Traditional Name: [(5-bromo-3-pyridyl)-(3-methyl-5-nitro-phenyl)methyl]amine Formula: C13H12BrN3O2 MolecularWeight: 322.15728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)[N+](=O)[O-])C(C2=CC(=CN=C2)Br)N

Isomeric SMILES

CC1=CC(=CC(=C1)[N+](=O)[O-])C(C2=CC(=CN=C2)Br)N

InChI

InChI=1S/C13H12BrN3O2/c1-8-2-9(5-12(3-8)17(18)19)13(15)10-4-11(14)7-16-6-10/h2-7,13H,15H2,1H3