N'-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine

Systemtic Name: N'-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine Openeye Name: N'-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-N'-(4-pyridylmethyl)ethane-1,2-diamine CAS Name: N'-[(4,5-dimethoxy-2-nitrophenyl)methyl]-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine IUPAC Name: N'-[(4,5-dimethoxy-2-nitrophenyl)methyl]-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine Traditional Name: 2-aminoethyl-(4,5-dimethoxy-2-nitro-benzyl)-(4-pyridylmethyl)amine Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN(CCN)CC2=CC=NC=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN(CCN)CC2=CC=NC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H22N4O4/c1-24-16-9-14(15(21(22)23)10-17(16)25-2)12-20(8-5-18)11-13-3-6-19-7-4-13/h3-4,6-7,9-10H,5,8,11-12,18H2,1-2H3