5-bromanyl-2-nitro-N-(2-pyridin-4-ylethyl)aniline

Systemtic Name: 5-bromanyl-2-nitro-N-(2-pyridin-4-ylethyl)aniline Openeye Name: 5-bromo-2-nitro-N-[2-(4-pyridyl)ethyl]aniline CAS Name: 5-bromo-2-nitro-N-(2-pyridin-4-ylethyl)aniline IUPAC Name: 5-bromo-2-nitro-N-(2-pyridin-4-ylethyl)aniline Traditional Name: (5-bromo-2-nitro-phenyl)-[2-(4-pyridyl)ethyl]amine Formula: C13H12BrN3O2 MolecularWeight: 322.15728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)NCCC2=CC=NC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Br)NCCC2=CC=NC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12BrN3O2/c14-11-1-2-13(17(18)19)12(9-11)16-8-5-10-3-6-15-7-4-10/h1-4,6-7,9,16H,5,8H2