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

Systemtic Name: 6-methyl-2-(methylamino)-4-(3-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid Openeye Name: 6-methyl-2-(methylamino)-4-(3-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid CAS Name: 6-methyl-2-(methylamino)-4-(3-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid IUPAC Name: 6-methyl-2-(methylamino)-4-(3-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid Traditional Name: 6-methyl-2-(methylamino)-4-(3-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid Formula: C14H14N4O6 MolecularWeight: 334.28416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=N1)NC)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=N1)NC)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H14N4O6/c1-7-10(12(19)20)11(17(14(21)22)13(15-2)16-7)8-4-3-5-9(6-8)18(23)24/h3-6,11H,1-2H3,(H,15,16)(H,19,20)(H,21,22)