5-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]carbonyl-2-nitro-phenolate

Systemtic Name: 5-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]carbonyl-2-nitro-phenolate Openeye Name: 5-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-1-carbonyl]-2-nitro-phenolate CAS Name: 5-[[4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidinyl]-oxomethyl]-2-nitrophenolate IUPAC Name: 5-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-1-carbonyl]-2-nitrophenolate Traditional Name: 5-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-1-carbonyl]-2-nitro-phenolate Formula: C22H25N2O6- MolecularWeight: 413.4437

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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/p-1