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

Systemtic Name: 2-(cyanoamino)-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid Openeye Name: 2-(cyanoamino)-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid CAS Name: 2-(cyanoamino)-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid IUPAC Name: 2-(cyanoamino)-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid Traditional Name: 2-(cyanoamino)-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid Formula: C14H11N5O6 MolecularWeight: 345.26704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N5O6/c1-7-10(12(20)21)11(8-3-2-4-9(5-8)19(24)25)18(14(22)23)13(17-7)16-6-15/h2-5,11H,1H3,(H,16,17)(H,20,21)(H,22,23)