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

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (2-methoxy-2-oxo-ethyl) 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (2-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-2-oxoethyl) 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (2-keto-2-methoxy-ethyl) ester Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O6/c1-22-14(18)10-23-15(19)11-5-6-12(13(9-11)17(20)21)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3