[2-[[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-[[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-[[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]amino]-2-oxo-ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-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] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-keto-2-[[2-(4-methoxyphenyl)-2-piperidino-ethyl]amino]ethyl] ester Formula: C23H26ClN3O6 MolecularWeight: 475.92204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN3O6/c1-32-18-8-5-16(6-9-18)21(26-11-3-2-4-12-26)14-25-22(28)15-33-23(29)19-13-17(27(30)31)7-10-20(19)24/h5-10,13,21H,2-4,11-12,14-15H2,1H3,(H,25,28)