(E)-3-(3-nitro-4-pyrrolidin-1-yl-phenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-nitro-4-pyrrolidin-1-yl-phenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one Openeye Name: (E)-3-(3-nitro-4-pyrrolidin-1-yl-phenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one CAS Name: (E)-3-[3-nitro-4-(1-pyrrolidinyl)phenyl]-1-(3,4,5-trimethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-3-(3-nitro-4-pyrrolidin-1-ylphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-(3-nitro-4-pyrrolidino-phenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)C=CC2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)/C=C/C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O6/c1-28-20-13-16(14-21(29-2)22(20)30-3)19(25)9-7-15-6-8-17(18(12-15)24(26)27)23-10-4-5-11-23/h6-9,12-14H,4-5,10-11H2,1-3H3/b9-7+