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

Systemtic Name: N-[(2-methyl-3-nitro-phenyl)methyl]butan-2-amine Openeye Name: N-[(2-methyl-3-nitro-phenyl)methyl]butan-2-amine CAS Name: N-[(2-methyl-3-nitrophenyl)methyl]-2-butanamine IUPAC Name: N-[(2-methyl-3-nitrophenyl)methyl]butan-2-amine Traditional Name: (2-methyl-3-nitro-benzyl)-sec-butyl-amine Formula: C12H18N2O2 MolecularWeight: 222.28352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O2/c1-4-9(2)13-8-11-6-5-7-12(10(11)3)14(15)16/h5-7,9,13H,4,8H2,1-3H3