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

Systemtic Name: 4-nitro-1-[1-(phenylsulfonyl)pyrrol-3-yl]butan-1-one Openeye Name: 1-[1-(benzenesulfonyl)pyrrol-3-yl]-4-nitro-butan-1-one CAS Name: 1-[1-(benzenesulfonyl)-3-pyrrolyl]-4-nitro-1-butanone IUPAC Name: 1-[1-(benzenesulfonyl)pyrrol-3-yl]-4-nitrobutan-1-one Traditional Name: 1-(1-besylpyrrol-3-yl)-4-nitro-butan-1-one Formula: C14H14N2O5S MolecularWeight: 322.33636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O5S/c17-14(7-4-9-16(18)19)12-8-10-15(11-12)22(20,21)13-5-2-1-3-6-13/h1-3,5-6,8,10-11H,4,7,9H2