2-chloranyl-5-nitro-N-(1-pyridin-3-ylethyl)aniline

Systemtic Name: 2-chloranyl-5-nitro-N-(1-pyridin-3-ylethyl)aniline Openeye Name: 2-chloro-5-nitro-N-[1-(3-pyridyl)ethyl]aniline CAS Name: 2-chloro-5-nitro-N-[1-(3-pyridinyl)ethyl]aniline IUPAC Name: 2-chloro-5-nitro-N-(1-pyridin-3-ylethyl)aniline Traditional Name: (2-chloro-5-nitro-phenyl)-[1-(3-pyridyl)ethyl]amine Formula: C13H12ClN3O2 MolecularWeight: 277.70628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C1=CN=CC=C1)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H12ClN3O2/c1-9(10-3-2-6-15-8-10)16-13-7-11(17(18)19)4-5-12(13)14/h2-9,16H,1H3