N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-4-nitro-aniline

Systemtic Name: N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-4-nitro-aniline Openeye Name: N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-4-nitro-aniline CAS Name: N-[(4,6-dimethoxy-5-pyrimidinyl)methyl]-4-nitroaniline IUPAC Name: N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-4-nitroaniline Traditional Name: (4,6-dimethoxypyrimidin-5-yl)methyl-(4-nitrophenyl)amine Formula: C13H14N4O4 MolecularWeight: 290.27466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NC=N1)OC)CNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=NC=N1)OC)CNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O4/c1-20-12-11(13(21-2)16-8-15-12)7-14-9-3-5-10(6-4-9)17(18)19/h3-6,8,14H,7H2,1-2H3