(2-oxidanylidene-2-piperidin-1-yl-ethyl) 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid (2-keto-2-piperidino-ethyl) ester Formula: C17H23N3O6 MolecularWeight: 365.38102

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O6/c1-25-10-7-18-14-6-5-13(11-15(14)20(23)24)17(22)26-12-16(21)19-8-3-2-4-9-19/h5-6,11,18H,2-4,7-10,12H2,1H3