N-[[5-nitro-2-(pyridin-4-ylmethoxy)phenyl]methyl]ethanamine

Systemtic Name: N-[[5-nitro-2-(pyridin-4-ylmethoxy)phenyl]methyl]ethanamine Openeye Name: N-[[5-nitro-2-(4-pyridylmethoxy)phenyl]methyl]ethanamine CAS Name: N-[[5-nitro-2-(pyridin-4-ylmethoxy)phenyl]methyl]ethanamine IUPAC Name: N-[[5-nitro-2-(pyridin-4-ylmethoxy)phenyl]methyl]ethanamine Traditional Name: ethyl-[5-nitro-2-(4-pyridylmethoxy)benzyl]amine Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=C(C=CC(=C1)[N+](=O)[O-])OCC2=CC=NC=C2

Isomeric SMILES

CCNCC1=C(C=CC(=C1)[N+](=O)[O-])OCC2=CC=NC=C2

InChI

InChI=1S/C15H17N3O3/c1-2-16-10-13-9-14(18(19)20)3-4-15(13)21-11-12-5-7-17-8-6-12/h3-9,16H,2,10-11H2,1H3