[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC)C

InChI

InChI=1S/C17H23N3O5/c1-11-6-12(2)9-19(8-11)16(21)10-25-17(22)14-7-13(20(23)24)4-5-15(14)18-3/h4-5,7,11-12,18H,6,8-10H2,1-3H3