ethyl 2,5-dimethyl-1-methylsulfonyl-4-(4-nitrophenyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-1-methylsulfonyl-4-(4-nitrophenyl)pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-1-methylsulfonyl-4-(4-nitrophenyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-methylsulfonyl-4-(4-nitrophenyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-1-methylsulfonyl-4-(4-nitrophenyl)pyrrole-3-carboxylate Traditional Name: 1-mesyl-2,5-dimethyl-4-(4-nitrophenyl)pyrrole-3-carboxylic acid ethyl ester Formula: C16H18N2O6S MolecularWeight: 366.38892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)S(=O)(=O)C)C

InChI

InChI=1S/C16H18N2O6S/c1-5-24-16(19)15-11(3)17(25(4,22)23)10(2)14(15)12-6-8-13(9-7-12)18(20)21/h6-9H,5H2,1-4H3