methyl 1-(4-methylphenyl)sulfonyl-5-nitro-pyrrole-3-carboxylate

Systemtic Name: methyl 1-(4-methylphenyl)sulfonyl-5-nitro-pyrrole-3-carboxylate Openeye Name: methyl 5-nitro-1-(p-tolylsulfonyl)pyrrole-3-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-5-nitro-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-methylphenyl)sulfonyl-5-nitropyrrole-3-carboxylate Traditional Name: 5-nitro-1-tosyl-pyrrole-3-carboxylic acid methyl ester Formula: C13H12N2O6S MolecularWeight: 324.30918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=C2[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=C2[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H12N2O6S/c1-9-3-5-11(6-4-9)22(19,20)14-8-10(13(16)21-2)7-12(14)15(17)18/h3-8H,1-2H3