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

Systemtic Name: 2-bromanyl-5-methyl-1-[(4-nitrophenyl)methyl]imidazole-4-carboxylic acid Openeye Name: 2-bromo-5-methyl-1-[(4-nitrophenyl)methyl]imidazole-4-carboxylic acid CAS Name: 2-bromo-5-methyl-1-[(4-nitrophenyl)methyl]-4-imidazolecarboxylic acid IUPAC Name: 2-bromo-5-methyl-1-[(4-nitrophenyl)methyl]imidazole-4-carboxylic acid Traditional Name: 2-bromo-5-methyl-1-(4-nitrobenzyl)imidazole-4-carboxylic acid Formula: C12H10BrN3O4 MolecularWeight: 340.1295

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])Br)C(=O)O

Isomeric SMILES

CC1=C(N=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])Br)C(=O)O

InChI

InChI=1S/C12H10BrN3O4/c1-7-10(11(17)18)14-12(13)15(7)6-8-2-4-9(5-3-8)16(19)20/h2-5H,6H2,1H3,(H,17,18)