(E)-4-(3-nitrophenyl)-3-pyrrolidin-1-ylsulfonyl-but-3-en-2-one

Systemtic Name: (E)-4-(3-nitrophenyl)-3-pyrrolidin-1-ylsulfonyl-but-3-en-2-one Openeye Name: (E)-4-(3-nitrophenyl)-3-pyrrolidin-1-ylsulfonyl-but-3-en-2-one CAS Name: (E)-4-(3-nitrophenyl)-3-(1-pyrrolidinylsulfonyl)-3-buten-2-one IUPAC Name: (E)-4-(3-nitrophenyl)-3-pyrrolidin-1-ylsulfonylbut-3-en-2-one Traditional Name: (E)-4-(3-nitrophenyl)-3-pyrrolidinosulfonyl-but-3-en-2-one Formula: C14H16N2O5S MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC2

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/S(=O)(=O)N2CCCC2

InChI

InChI=1S/C14H16N2O5S/c1-11(17)14(22(20,21)15-7-2-3-8-15)10-12-5-4-6-13(9-12)16(18)19/h4-6,9-10H,2-3,7-8H2,1H3/b14-10+