1-(2-methyl-3-nitro-phenyl)hexan-3-amine

Systemtic Name: 1-(2-methyl-3-nitro-phenyl)hexan-3-amine Openeye Name: 1-(2-methyl-3-nitro-phenyl)hexan-3-amine CAS Name: 1-(2-methyl-3-nitrophenyl)-3-hexanamine IUPAC Name: 1-(2-methyl-3-nitrophenyl)hexan-3-amine Traditional Name: 1-[2-(2-methyl-3-nitro-phenyl)ethyl]butylamine Formula: C13H20N2O2 MolecularWeight: 236.3101

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC1=C(C(=CC=C1)[N+](=O)[O-])C)N

Isomeric SMILES

CCCC(CCC1=C(C(=CC=C1)[N+](=O)[O-])C)N

InChI

InChI=1S/C13H20N2O2/c1-3-5-12(14)9-8-11-6-4-7-13(10(11)2)15(16)17/h4,6-7,12H,3,5,8-9,14H2,1-2H3