N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-1-phenyl-methanamine

Systemtic Name: N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-1-phenyl-methanamine Openeye Name: N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-1-phenyl-methanamine CAS Name: N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-1-phenylmethanamine IUPAC Name: N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-1-phenylmethanamine Traditional Name: benzyl-(4,5-dimethoxy-2-nitro-benzyl)amine Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CNCC2=CC=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CNCC2=CC=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H18N2O4/c1-21-15-8-13(14(18(19)20)9-16(15)22-2)11-17-10-12-6-4-3-5-7-12/h3-9,17H,10-11H2,1-2H3