methyl 5-methylsulfonyl-2-nitro-4-pyrrol-1-yl-benzoate

Systemtic Name: methyl 5-methylsulfonyl-2-nitro-4-pyrrol-1-yl-benzoate Openeye Name: methyl 5-methylsulfonyl-2-nitro-4-pyrrol-1-yl-benzoate CAS Name: 5-methylsulfonyl-2-nitro-4-(1-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 5-methylsulfonyl-2-nitro-4-pyrrol-1-ylbenzoate Traditional Name: 5-mesyl-2-nitro-4-pyrrol-1-yl-benzoic acid methyl ester Formula: C13H12N2O6S MolecularWeight: 324.30918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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