(4-nitrophenyl)methyl 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid (4-nitrobenzyl) ester Formula: C12H9BrN2O4 MolecularWeight: 325.11486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C2=CC(=CN2)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C2=CC(=CN2)Br)[N+](=O)[O-]

InChI

InChI=1S/C12H9BrN2O4/c13-9-5-11(14-6-9)12(16)19-7-8-1-3-10(4-2-8)15(17)18/h1-6,14H,7H2