3-nitro-N-[(4-propoxyphenyl)methyl]aniline

Systemtic Name: 3-nitro-N-[(4-propoxyphenyl)methyl]aniline Openeye Name: 3-nitro-N-[(4-propoxyphenyl)methyl]aniline CAS Name: 3-nitro-N-[(4-propoxyphenyl)methyl]aniline IUPAC Name: 3-nitro-N-[(4-propoxyphenyl)methyl]aniline Traditional Name: (3-nitrophenyl)-(4-propoxybenzyl)amine Formula: C16H18N2O3 MolecularWeight: 286.32572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CNC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)CNC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O3/c1-2-10-21-16-8-6-13(7-9-16)12-17-14-4-3-5-15(11-14)18(19)20/h3-9,11,17H,2,10,12H2,1H3