(phenylmethyl) 1-(5-chloranyl-2-nitro-phenyl)sulfonylpyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 1-(5-chloranyl-2-nitro-phenyl)sulfonylpyrrole-2-carboxylate Openeye Name: benzyl 1-(5-chloro-2-nitro-phenyl)sulfonylpyrrole-2-carboxylate CAS Name: 1-(5-chloro-2-nitrophenyl)sulfonyl-2-pyrrolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(5-chloro-2-nitrophenyl)sulfonylpyrrole-2-carboxylate Traditional Name: 1-(5-chloro-2-nitro-phenyl)sulfonylpyrrole-2-carboxylic acid benzyl ester Formula: C18H13ClN2O6S MolecularWeight: 420.82362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC=CN2S(=O)(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC=CN2S(=O)(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H13ClN2O6S/c19-14-8-9-15(21(23)24)17(11-14)28(25,26)20-10-4-7-16(20)18(22)27-12-13-5-2-1-3-6-13/h1-11H,12H2