3-methyl-2-(4-nitrophenyl)carbonyl-imidazole-4-carboxylic acid

Systemtic Name: 3-methyl-2-(4-nitrophenyl)carbonyl-imidazole-4-carboxylic acid Openeye Name: 3-methyl-2-(4-nitrobenzoyl)imidazole-4-carboxylic acid CAS Name: 3-methyl-2-[(4-nitrophenyl)-oxomethyl]-4-imidazolecarboxylic acid IUPAC Name: 3-methyl-2-(4-nitrobenzoyl)imidazole-4-carboxylic acid Traditional Name: 3-methyl-2-(4-nitrobenzoyl)imidazole-4-carboxylic acid Formula: C12H9N3O5 MolecularWeight: 275.21696

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CN1C(=CN=C1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H9N3O5/c1-14-9(12(17)18)6-13-11(14)10(16)7-2-4-8(5-3-7)15(19)20/h2-6H,1H3,(H,17,18)