N'-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-N'-(pyridin-4-ylmethyl)propane-1,3-diamine

Systemtic Name: N'-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-N'-(pyridin-4-ylmethyl)propane-1,3-diamine Openeye Name: N'-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-N'-(4-pyridylmethyl)propane-1,3-diamine CAS Name: N'-[(4,5-dimethoxy-2-nitrophenyl)methyl]-N'-(pyridin-4-ylmethyl)propane-1,3-diamine IUPAC Name: N'-[(4,5-dimethoxy-2-nitrophenyl)methyl]-N'-(pyridin-4-ylmethyl)propane-1,3-diamine Traditional Name: 3-aminopropyl-(4,5-dimethoxy-2-nitro-benzyl)-(4-pyridylmethyl)amine Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4/c1-25-17-10-15(16(22(23)24)11-18(17)26-2)13-21(9-3-6-19)12-14-4-7-20-8-5-14/h4-5,7-8,10-11H,3,6,9,12-13,19H2,1-2H3