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

Systemtic Name: 6-methyl-2-nitramido-4-(3-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid Openeye Name: 6-methyl-2-nitramido-4-(3-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid CAS Name: 6-methyl-2-nitramido-4-(3-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid IUPAC Name: 6-methyl-2-nitramido-4-(3-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid Traditional Name: 6-methyl-2-nitramido-4-(3-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid Formula: C13H11N5O8 MolecularWeight: 365.25514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O8/c1-6-9(11(19)20)10(7-3-2-4-8(5-7)17(23)24)16(13(21)22)12(14-6)15-18(25)26/h2-5,10H,1H3,(H,14,15)(H,19,20)(H,21,22)