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

Systemtic Name: (2-nitrophenyl)methyl 4-chloranyl-1H-pyrrole-2-carboxylate Openeye Name: (2-nitrophenyl)methyl 4-chloro-1H-pyrrole-2-carboxylate CAS Name: 4-chloro-1H-pyrrole-2-carboxylic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 4-chloro-1H-pyrrole-2-carboxylate Traditional Name: 4-chloro-1H-pyrrole-2-carboxylic acid (2-nitrobenzyl) ester Formula: C12H9ClN2O4 MolecularWeight: 280.66386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)C2=CC(=CN2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)C2=CC(=CN2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H9ClN2O4/c13-9-5-10(14-6-9)12(16)19-7-8-3-1-2-4-11(8)15(17)18/h1-6,14H,7H2