(E)-1-(2,4-dimethoxyphenyl)-3-(3-nitro-4-piperidin-1-yl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(2,4-dimethoxyphenyl)-3-(3-nitro-4-piperidin-1-yl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(2,4-dimethoxyphenyl)-3-[3-nitro-4-(1-piperidyl)phenyl]prop-2-en-1-one CAS Name: (E)-1-(2,4-dimethoxyphenyl)-3-[3-nitro-4-(1-piperidinyl)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(2,4-dimethoxyphenyl)-3-(3-nitro-4-piperidin-1-ylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(2,4-dimethoxyphenyl)-3-(3-nitro-4-piperidino-phenyl)prop-2-en-1-one Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H24N2O5/c1-28-17-8-9-18(22(15-17)29-2)21(25)11-7-16-6-10-19(20(14-16)24(26)27)23-12-4-3-5-13-23/h6-11,14-15H,3-5,12-13H2,1-2H3/b11-7+