[2-[[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]amino]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-[[2-(4-methoxyphenyl)-2-piperidino-ethyl]amino]ethyl] ester Formula: C23H27N3O6 MolecularWeight: 441.47698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C23H27N3O6/c1-31-20-10-8-17(9-11-20)21(25-12-3-2-4-13-25)15-24-22(27)16-32-23(28)18-6-5-7-19(14-18)26(29)30/h5-11,14,21H,2-4,12-13,15-16H2,1H3,(H,24,27)