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

Systemtic Name: N-[(3-nitro-4-phenylmethoxy-phenyl)methyl]ethanamine Openeye Name: N-[(4-benzyloxy-3-nitro-phenyl)methyl]ethanamine CAS Name: N-[(3-nitro-4-phenylmethoxyphenyl)methyl]ethanamine IUPAC Name: N-[(3-nitro-4-phenylmethoxyphenyl)methyl]ethanamine Traditional Name: (4-benzoxy-3-nitro-benzyl)-ethyl-amine Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3/c1-2-17-11-14-8-9-16(15(10-14)18(19)20)21-12-13-6-4-3-5-7-13/h3-10,17H,2,11-12H2,1H3