N-[[2-(3-methylbutoxy)-5-nitro-phenyl]methyl]ethanamine

Systemtic Name: N-[[2-(3-methylbutoxy)-5-nitro-phenyl]methyl]ethanamine Openeye Name: N-[(2-isopentyloxy-5-nitro-phenyl)methyl]ethanamine CAS Name: N-[[2-(3-methylbutoxy)-5-nitrophenyl]methyl]ethanamine IUPAC Name: N-[[2-(3-methylbutoxy)-5-nitrophenyl]methyl]ethanamine Traditional Name: ethyl-(2-isoamoxy-5-nitro-benzyl)amine Formula: C14H22N2O3 MolecularWeight: 266.33608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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