2-methyl-1-(4-nitrophenyl)imidazole-4,5-dicarboxylic acid

Systemtic Name: 2-methyl-1-(4-nitrophenyl)imidazole-4,5-dicarboxylic acid Openeye Name: 2-methyl-1-(4-nitrophenyl)imidazole-4,5-dicarboxylic acid CAS Name: 2-methyl-1-(4-nitrophenyl)imidazole-4,5-dicarboxylic acid IUPAC Name: 2-methyl-1-(4-nitrophenyl)imidazole-4,5-dicarboxylic acid Traditional Name: 2-methyl-1-(4-nitrophenyl)imidazole-4,5-dicarboxylic acid Formula: C12H9N3O6 MolecularWeight: 291.21636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)O

InChI

InChI=1S/C12H9N3O6/c1-6-13-9(11(16)17)10(12(18)19)14(6)7-2-4-8(5-3-7)15(20)21/h2-5H,1H3,(H,16,17)(H,18,19)