4-methyl-2-[(4-nitrophenyl)methylsulfonyl]pyrimidine

Systemtic Name: 4-methyl-2-[(4-nitrophenyl)methylsulfonyl]pyrimidine Openeye Name: 4-methyl-2-[(4-nitrophenyl)methylsulfonyl]pyrimidine CAS Name: 4-methyl-2-[(4-nitrophenyl)methylsulfonyl]pyrimidine IUPAC Name: 4-methyl-2-[(4-nitrophenyl)methylsulfonyl]pyrimidine Traditional Name: 4-methyl-2-(4-nitrobenzyl)sulfonyl-pyrimidine Formula: C12H11N3O4S MolecularWeight: 293.29844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)S(=O)(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NC=C1)S(=O)(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O4S/c1-9-6-7-13-12(14-9)20(18,19)8-10-2-4-11(5-3-10)15(16)17/h2-7H,8H2,1H3