4-methyl-6-(3-nitrophenyl)-2H-pyrimidine-1,5-dicarboxylic acid

Systemtic Name: 4-methyl-6-(3-nitrophenyl)-2H-pyrimidine-1,5-dicarboxylic acid Openeye Name: 4-methyl-6-(3-nitrophenyl)-2H-pyrimidine-1,5-dicarboxylic acid CAS Name: 4-methyl-6-(3-nitrophenyl)-2H-pyrimidine-1,5-dicarboxylic acid IUPAC Name: 4-methyl-6-(3-nitrophenyl)-2H-pyrimidine-1,5-dicarboxylic acid Traditional Name: 4-methyl-6-(3-nitrophenyl)-2H-pyrimidine-1,5-dicarboxylic acid Formula: C13H11N3O6 MolecularWeight: 305.24294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NCN(C(=C1C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=NCN(C(=C1C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H11N3O6/c1-7-10(12(17)18)11(15(6-14-7)13(19)20)8-3-2-4-9(5-8)16(21)22/h2-5H,6H2,1H3,(H,17,18)(H,19,20)