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

Systemtic Name: [2-(ethylamino)-2-oxidanylidene-ethyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(ethylamino)-2-oxo-ethyl] 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-(ethylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethylamino)-2-oxoethyl] 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid [2-(ethylamino)-2-keto-ethyl] ester Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)COC(=O)C1=CC(=C(C=C1)N2CCC(CC2)C)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)COC(=O)C1=CC(=C(C=C1)N2CCC(CC2)C)[N+](=O)[O-]

InChI

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