3-methyl-4-nitro-1-[1-(phenylsulfonyl)pyrrol-3-yl]butan-1-one

Systemtic Name: 3-methyl-4-nitro-1-[1-(phenylsulfonyl)pyrrol-3-yl]butan-1-one Openeye Name: 1-[1-(benzenesulfonyl)pyrrol-3-yl]-3-methyl-4-nitro-butan-1-one CAS Name: 1-[1-(benzenesulfonyl)-3-pyrrolyl]-3-methyl-4-nitro-1-butanone IUPAC Name: 1-[1-(benzenesulfonyl)pyrrol-3-yl]-3-methyl-4-nitrobutan-1-one Traditional Name: 1-(1-besylpyrrol-3-yl)-3-methyl-4-nitro-butan-1-one Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O5S/c1-12(10-17(19)20)9-15(18)13-7-8-16(11-13)23(21,22)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3