N-[(3-nitro-4-propoxy-phenyl)methyl]propan-1-amine

Systemtic Name: N-[(3-nitro-4-propoxy-phenyl)methyl]propan-1-amine Openeye Name: N-[(3-nitro-4-propoxy-phenyl)methyl]propan-1-amine CAS Name: N-[(3-nitro-4-propoxyphenyl)methyl]-1-propanamine IUPAC Name: N-[(3-nitro-4-propoxyphenyl)methyl]propan-1-amine Traditional Name: (3-nitro-4-propoxy-benzyl)-propyl-amine Formula: C13H20N2O3 MolecularWeight: 252.3095

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=CC(=C(C=C1)OCCC)[N+](=O)[O-]

Isomeric SMILES

CCCNCC1=CC(=C(C=C1)OCCC)[N+](=O)[O-]

InChI

InChI=1S/C13H20N2O3/c1-3-7-14-10-11-5-6-13(18-8-4-2)12(9-11)15(16)17/h5-6,9,14H,3-4,7-8,10H2,1-2H3