N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-2-phenyl-ethanamine

Systemtic Name: N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-2-phenyl-ethanamine Openeye Name: N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-2-phenyl-ethanamine CAS Name: N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-2-phenylethanamine IUPAC Name: N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-2-phenylethanamine Traditional Name: (4,5-dimethoxy-2-nitro-benzyl)-phenethyl-amine Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CNCCC2=CC=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CNCCC2=CC=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H20N2O4/c1-22-16-10-14(15(19(20)21)11-17(16)23-2)12-18-9-8-13-6-4-3-5-7-13/h3-7,10-11,18H,8-9,12H2,1-2H3