[2-(cyclopentylamino)-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C19H25N3O5 MolecularWeight: 375.4189

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O5/c23-18(20-15-6-2-3-7-15)13-27-19(24)14-8-9-16(17(12-14)22(25)26)21-10-4-1-5-11-21/h8-9,12,15H,1-7,10-11,13H2,(H,20,23)