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

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (2-keto-2-piperidino-ethyl) ester Formula: C15H19N3O5 MolecularWeight: 321.32846

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O5/c1-16-12-6-5-11(9-13(12)18(21)22)15(20)23-10-14(19)17-7-3-2-4-8-17/h5-6,9,16H,2-4,7-8,10H2,1H3