4,6-dimethyl-1-[(4-nitrophenyl)methyl]pyrimidin-2-one

Systemtic Name: 4,6-dimethyl-1-[(4-nitrophenyl)methyl]pyrimidin-2-one Openeye Name: 4,6-dimethyl-1-[(4-nitrophenyl)methyl]pyrimidin-2-one CAS Name: 4,6-dimethyl-1-[(4-nitrophenyl)methyl]-2-pyrimidinone IUPAC Name: 4,6-dimethyl-1-[(4-nitrophenyl)methyl]pyrimidin-2-one Traditional Name: 4,6-dimethyl-1-(4-nitrobenzyl)pyrimidin-2-one Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=O)N1CC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=O)N1CC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H13N3O3/c1-9-7-10(2)15(13(17)14-9)8-11-3-5-12(6-4-11)16(18)19/h3-7H,8H2,1-2H3