[2-[(2R)-2-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[(2R)-2-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-[(2R)-2-carbamoyl-1-piperidyl]-2-oxo-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [2-[(2R)-2-carbamoyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [2-[(2R)-2-carbamoylpiperidino]-2-keto-ethyl] ester Formula: C19H24N4O6 MolecularWeight: 404.41706

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)N)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

C1CCN([C@H](C1)C(=O)N)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C19H24N4O6/c20-18(25)16-5-1-2-10-22(16)17(24)12-29-19(26)14-11-13(23(27)28)6-7-15(14)21-8-3-4-9-21/h6-7,11,16H,1-5,8-10,12H2,(H2,20,25)/t16-/m1/s1