[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [2-(2-methyl-1-piperidyl)-2-oxo-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [2-(2-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [2-keto-2-(2-methylpiperidino)ethyl] ester Formula: C18H25N3O6 MolecularWeight: 379.4076

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCOC

Isomeric SMILES

CC1CCCCN1C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCOC

InChI

InChI=1S/C18H25N3O6/c1-13-5-3-4-9-20(13)17(22)12-27-18(23)15-11-14(21(24)25)6-7-16(15)19-8-10-26-2/h6-7,11,13,19H,3-5,8-10,12H2,1-2H3