[2-[(2S)-2-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[(2S)-2-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-[(2S)-2-carbamoyl-1-piperidyl]-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-[(2S)-2-carbamoyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-[(2S)-2-carbamoylpiperidino]-2-keto-ethyl] ester Formula: C19H24N4O6 MolecularWeight: 404.41706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O6/c20-18(25)15-5-1-2-10-22(15)17(24)12-29-19(26)13-6-7-14(16(11-13)23(27)28)21-8-3-4-9-21/h6-7,11,15H,1-5,8-10,12H2,(H2,20,25)/t15-/m0/s1