(2-bromanyl-4-fluoranyl-phenyl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: (2-bromanyl-4-fluoranyl-phenyl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: (2-bromo-4-fluoro-phenyl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid (2-bromo-4-fluorophenyl)methyl ester IUPAC Name: (2-bromo-4-fluorophenyl)methyl 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid (2-bromo-4-fluoro-benzyl) ester Formula: C13H10BrFN2O4 MolecularWeight: 357.131903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC2=C(C=C(C=C2)F)Br)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC2=C(C=C(C=C2)F)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H10BrFN2O4/c1-16-6-10(17(19)20)5-12(16)13(18)21-7-8-2-3-9(15)4-11(8)14/h2-6H,7H2,1H3