[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-(1-methylpyrrol-2-yl)-2-oxo-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-(1-methyl-2-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-methylpyrrol-2-yl)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-keto-2-(1-methylpyrrol-2-yl)ethyl] ester Formula: C15H14N2O7S MolecularWeight: 366.34586

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC=C1C(=O)COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O7S/c1-16-7-3-4-11(16)13(18)9-24-15(19)10-5-6-14(25(2,22)23)12(8-10)17(20)21/h3-8H,9H2,1-2H3