[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate

Systemtic Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate Openeye Name: [2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl] 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid [2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoic acid [2-keto-2-[(2S)-2-methylpiperidino]ethyl] ester Formula: C22H23ClN2O7 MolecularWeight: 462.88022

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)COC(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

C[C@H]1CCCCN1C(=O)COC(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C22H23ClN2O7/c1-14-5-3-4-10-24(14)21(26)13-31-22(27)15-6-8-19(20(11-15)30-2)32-18-9-7-16(23)12-17(18)25(28)29/h6-9,11-12,14H,3-5,10,13H2,1-2H3/t14-/m0/s1