N-[(2-methoxy-5-nitro-phenyl)methyl]-3-methyl-butan-1-amine

Systemtic Name: N-[(2-methoxy-5-nitro-phenyl)methyl]-3-methyl-butan-1-amine Openeye Name: N-[(2-methoxy-5-nitro-phenyl)methyl]-3-methyl-butan-1-amine CAS Name: N-[(2-methoxy-5-nitrophenyl)methyl]-3-methyl-1-butanamine IUPAC Name: N-[(2-methoxy-5-nitrophenyl)methyl]-3-methylbutan-1-amine Traditional Name: isoamyl-(2-methoxy-5-nitro-benzyl)amine Formula: C13H20N2O3 MolecularWeight: 252.3095

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNCC1=C(C=CC(=C1)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)CCNCC1=C(C=CC(=C1)[N+](=O)[O-])OC

InChI

InChI=1S/C13H20N2O3/c1-10(2)6-7-14-9-11-8-12(15(16)17)4-5-13(11)18-3/h4-5,8,10,14H,6-7,9H2,1-3H3