N-[[3-nitro-4-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine

Systemtic Name: N-[[3-nitro-4-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine Openeye Name: N-[[3-nitro-4-(3-pyridylmethoxy)phenyl]methyl]ethanamine CAS Name: N-[[3-nitro-4-(3-pyridinylmethoxy)phenyl]methyl]ethanamine IUPAC Name: N-[[3-nitro-4-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine Traditional Name: ethyl-[3-nitro-4-(3-pyridylmethoxy)benzyl]amine Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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