methyl 1-(4-methylphenyl)sulfonyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: methyl 1-(4-methylphenyl)sulfonyl-4-nitro-pyrrole-2-carboxylate Openeye Name: methyl 4-nitro-1-(p-tolylsulfonyl)pyrrole-2-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-nitro-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-methylphenyl)sulfonyl-4-nitropyrrole-2-carboxylate Traditional Name: 4-nitro-1-tosyl-pyrrole-2-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=C2C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=C2C(=O)OC)[N+](=O)[O-]

InChI

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