[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [2-[(3R)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [2-keto-2-[(3R)-3-methylpiperidino]ethyl] ester Formula: C18H24N2O7 MolecularWeight: 380.39236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCCC(C2)C)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCC[C@H](C2)C)OC

InChI

InChI=1S/C18H24N2O7/c1-4-26-16-9-14(20(23)24)13(8-15(16)25-3)18(22)27-11-17(21)19-7-5-6-12(2)10-19/h8-9,12H,4-7,10-11H2,1-3H3/t12-/m1/s1