2-bromanyl-5-methyl-1-(4-nitrophenyl)carbonyl-imidazole-4-carboxylic acid

Systemtic Name: 2-bromanyl-5-methyl-1-(4-nitrophenyl)carbonyl-imidazole-4-carboxylic acid Openeye Name: 2-bromo-5-methyl-1-(4-nitrobenzoyl)imidazole-4-carboxylic acid CAS Name: 2-bromo-5-methyl-1-[(4-nitrophenyl)-oxomethyl]-4-imidazolecarboxylic acid IUPAC Name: 2-bromo-5-methyl-1-(4-nitrobenzoyl)imidazole-4-carboxylic acid Traditional Name: 2-bromo-5-methyl-1-(4-nitrobenzoyl)imidazole-4-carboxylic acid Formula: C12H8BrN3O5 MolecularWeight: 354.11302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br)C(=O)O

Isomeric SMILES

CC1=C(N=C(N1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br)C(=O)O

InChI

InChI=1S/C12H8BrN3O5/c1-6-9(11(18)19)14-12(13)15(6)10(17)7-2-4-8(5-3-7)16(20)21/h2-5H,1H3,(H,18,19)