N-methyl-1-(3-nitro-4-phenethyloxy-phenyl)methanamine

Systemtic Name: N-methyl-1-(3-nitro-4-phenethyloxy-phenyl)methanamine Openeye Name: N-methyl-1-(3-nitro-4-phenethyloxy-phenyl)methanamine CAS Name: N-methyl-1-(3-nitro-4-phenethyloxyphenyl)methanamine IUPAC Name: N-methyl-1-(3-nitro-4-phenethyloxyphenyl)methanamine Traditional Name: methyl-(3-nitro-4-phenethyloxy-benzyl)amine Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC(=C(C=C1)OCCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CNCC1=CC(=C(C=C1)OCCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O3/c1-17-12-14-7-8-16(15(11-14)18(19)20)21-10-9-13-5-3-2-4-6-13/h2-8,11,17H,9-10,12H2,1H3