ethyl 2,5-dimethyl-4-[2-(4-methylsulfonyl-3-nitro-phenyl)carbonyloxyethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[2-(4-methylsulfonyl-3-nitro-phenyl)carbonyloxyethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-(4-methylsulfonyl-3-nitro-benzoyl)oxyacetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[2-[(4-methylsulfonyl-3-nitrophenyl)-oxomethoxy]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-(4-methylsulfonyl-3-nitrobenzoyl)oxyacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-(4-mesyl-3-nitro-benzoyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H20N2O9S MolecularWeight: 452.4351

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C)C

InChI

InChI=1S/C19H20N2O9S/c1-5-29-19(24)17-11(3)20-10(2)16(17)14(22)9-30-18(23)12-6-7-15(31(4,27)28)13(8-12)21(25)26/h6-8,20H,5,9H2,1-4H3