N-[[4-(2-methylpropoxy)-3-nitro-phenyl]methyl]propan-1-amine

Systemtic Name: N-[[4-(2-methylpropoxy)-3-nitro-phenyl]methyl]propan-1-amine Openeye Name: N-[(4-isobutoxy-3-nitro-phenyl)methyl]propan-1-amine CAS Name: N-[[4-(2-methylpropoxy)-3-nitrophenyl]methyl]-1-propanamine IUPAC Name: N-[[4-(2-methylpropoxy)-3-nitrophenyl]methyl]propan-1-amine Traditional Name: (4-isobutoxy-3-nitro-benzyl)-propyl-amine Formula: C14H22N2O3 MolecularWeight: 266.33608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O3/c1-4-7-15-9-12-5-6-14(19-10-11(2)3)13(8-12)16(17)18/h5-6,8,11,15H,4,7,9-10H2,1-3H3