[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-keto-2-(3,4,5-trimethoxyphenyl)ethyl] ester Formula: C23H26N2O8 MolecularWeight: 458.46114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H26N2O8/c1-30-20-12-16(13-21(31-2)22(20)32-3)19(26)14-33-23(27)15-7-8-17(18(11-15)25(28)29)24-9-5-4-6-10-24/h7-8,11-13H,4-6,9-10,14H2,1-3H3