N-[(2-methyl-3-nitro-phenyl)methyl]pentan-2-amine

Systemtic Name: N-[(2-methyl-3-nitro-phenyl)methyl]pentan-2-amine Openeye Name: N-[(2-methyl-3-nitro-phenyl)methyl]pentan-2-amine CAS Name: N-[(2-methyl-3-nitrophenyl)methyl]-2-pentanamine IUPAC Name: N-[(2-methyl-3-nitrophenyl)methyl]pentan-2-amine Traditional Name: 1-methylbutyl-(2-methyl-3-nitro-benzyl)amine Formula: C13H20N2O2 MolecularWeight: 236.3101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NCC1=C(C(=CC=C1)[N+](=O)[O-])C

Isomeric SMILES

CCCC(C)NCC1=C(C(=CC=C1)[N+](=O)[O-])C

InChI

InChI=1S/C13H20N2O2/c1-4-6-10(2)14-9-12-7-5-8-13(11(12)3)15(16)17/h5,7-8,10,14H,4,6,9H2,1-3H3