[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(4-nitro-3-oxidanyl-phenyl)methanone

Systemtic Name: [4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(4-nitro-3-oxidanyl-phenyl)methanone Openeye Name: [4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidyl]-(3-hydroxy-4-nitro-phenyl)methanone CAS Name: [4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidinyl]-(3-hydroxy-4-nitrophenyl)methanone IUPAC Name: [4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(3-hydroxy-4-nitrophenyl)methanone Traditional Name: [4-[2-(3,5-dimethoxyphenyl)ethyl]piperidino]-(3-hydroxy-4-nitro-phenyl)methanone Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC2CCN(CC2)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC2CCN(CC2)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])O)OC

InChI

InChI=1S/C22H26N2O6/c1-29-18-11-16(12-19(14-18)30-2)4-3-15-7-9-23(10-8-15)22(26)17-5-6-20(24(27)28)21(25)13-17/h5-6,11-15,25H,3-4,7-10H2,1-2H3