N-[(4-bromanyl-3-nitro-phenyl)methyl]-1-pyridin-4-yl-ethanamine

Systemtic Name: N-[(4-bromanyl-3-nitro-phenyl)methyl]-1-pyridin-4-yl-ethanamine Openeye Name: N-[(4-bromo-3-nitro-phenyl)methyl]-1-(4-pyridyl)ethanamine CAS Name: N-[(4-bromo-3-nitrophenyl)methyl]-1-pyridin-4-ylethanamine IUPAC Name: N-[(4-bromo-3-nitrophenyl)methyl]-1-pyridin-4-ylethanamine Traditional Name: (4-bromo-3-nitro-benzyl)-[1-(4-pyridyl)ethyl]amine Formula: C14H14BrN3O2 MolecularWeight: 336.18386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NC=C1)NCC2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=NC=C1)NCC2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C14H14BrN3O2/c1-10(12-4-6-16-7-5-12)17-9-11-2-3-13(15)14(8-11)18(19)20/h2-8,10,17H,9H2,1H3