[2-(diethylamino)-2-oxidanylidene-ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-(diethylamino)-2-oxidanylidene-ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(diethylamino)-2-oxo-ethyl] 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-(diethylamino)-2-oxoethyl] ester IUPAC Name: [2-(diethylamino)-2-oxoethyl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid [2-(diethylamino)-2-keto-ethyl] ester Formula: C19H27N3O5 MolecularWeight: 377.43478

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC(=O)C1=CC(=C(C=C1)N2CCCC(C2)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)COC(=O)C1=CC(=C(C=C1)N2CCCC(C2)C)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O5/c1-4-20(5-2)18(23)13-27-19(24)15-8-9-16(17(11-15)22(25)26)21-10-6-7-14(3)12-21/h8-9,11,14H,4-7,10,12-13H2,1-3H3