2-(4-butyl-2-chloranyl-5-nitro-phenyl)propan-1-amine

Systemtic Name: 2-(4-butyl-2-chloranyl-5-nitro-phenyl)propan-1-amine Openeye Name: 2-(4-butyl-2-chloro-5-nitro-phenyl)propan-1-amine CAS Name: 2-(4-butyl-2-chloro-5-nitrophenyl)-1-propanamine IUPAC Name: 2-(4-butyl-2-chloro-5-nitrophenyl)propan-1-amine Traditional Name: 2-(4-butyl-2-chloro-5-nitro-phenyl)propylamine Formula: C13H19ClN2O2 MolecularWeight: 270.75516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C(=C1)Cl)C(C)CN)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(C=C(C(=C1)Cl)C(C)CN)[N+](=O)[O-]

InChI

InChI=1S/C13H19ClN2O2/c1-3-4-5-10-6-12(14)11(9(2)8-15)7-13(10)16(17)18/h6-7,9H,3-5,8,15H2,1-2H3