N-[[2-(3-methylbutoxy)-5-nitro-phenyl]methyl]propan-1-amine

Systemtic Name: N-[[2-(3-methylbutoxy)-5-nitro-phenyl]methyl]propan-1-amine Openeye Name: N-[(2-isopentyloxy-5-nitro-phenyl)methyl]propan-1-amine CAS Name: N-[[2-(3-methylbutoxy)-5-nitrophenyl]methyl]-1-propanamine IUPAC Name: N-[[2-(3-methylbutoxy)-5-nitrophenyl]methyl]propan-1-amine Traditional Name: (2-isoamoxy-5-nitro-benzyl)-propyl-amine Formula: C15H24N2O3 MolecularWeight: 280.36266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O3/c1-4-8-16-11-13-10-14(17(18)19)5-6-15(13)20-9-7-12(2)3/h5-6,10,12,16H,4,7-9,11H2,1-3H3