N-[(2-chloranyl-5-nitro-phenyl)methyl]butan-1-amine

Systemtic Name: N-[(2-chloranyl-5-nitro-phenyl)methyl]butan-1-amine Openeye Name: N-[(2-chloro-5-nitro-phenyl)methyl]butan-1-amine CAS Name: N-[(2-chloro-5-nitrophenyl)methyl]-1-butanamine IUPAC Name: N-[(2-chloro-5-nitrophenyl)methyl]butan-1-amine Traditional Name: butyl-(2-chloro-5-nitro-benzyl)amine Formula: C11H15ClN2O2 MolecularWeight: 242.702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCNCC1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C11H15ClN2O2/c1-2-3-6-13-8-9-7-10(14(15)16)4-5-11(9)12/h4-5,7,13H,2-3,6,8H2,1H3