2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Systemtic Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O6S/c1-13-10-16(14(2)20(13)3)18(23)12-28-19-7-6-15(11-17(19)22(24)25)29(26,27)21-8-4-5-9-21/h6-7,10-11H,4-5,8-9,12H2,1-3H3