propan-2-yl 2-bromanyl-1-(2,4-dinitrophenyl)-5-methyl-imidazole-4-carboxylate

Systemtic Name: propan-2-yl 2-bromanyl-1-(2,4-dinitrophenyl)-5-methyl-imidazole-4-carboxylate Openeye Name: isopropyl 2-bromo-1-(2,4-dinitrophenyl)-5-methyl-imidazole-4-carboxylate CAS Name: 2-bromo-1-(2,4-dinitrophenyl)-5-methyl-4-imidazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-bromo-1-(2,4-dinitrophenyl)-5-methylimidazole-4-carboxylate Traditional Name: 2-bromo-1-(2,4-dinitrophenyl)-5-methyl-imidazole-4-carboxylic acid isopropyl ester Formula: C14H13BrN4O6 MolecularWeight: 413.18022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Br)C(=O)OC(C)C

Isomeric SMILES

CC1=C(N=C(N1C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Br)C(=O)OC(C)C

InChI

InChI=1S/C14H13BrN4O6/c1-7(2)25-13(20)12-8(3)17(14(15)16-12)10-5-4-9(18(21)22)6-11(10)19(23)24/h4-7H,1-3H3