(E)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)-1-(4-pyrrolidinosulfonylphenyl)prop-2-en-1-one Formula: C20H20N2O7S MolecularWeight: 432.447

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H20N2O7S/c1-29-19-13-14(12-17(20(19)24)22(25)26)4-9-18(23)15-5-7-16(8-6-15)30(27,28)21-10-2-3-11-21/h4-9,12-13,24H,2-3,10-11H2,1H3/b9-4+