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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H24N4O6 MolecularWeight: 440.44916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O6/c27-20(24-22(29)23-14-16-7-3-1-4-8-16)15-32-21(28)17-9-10-18(19(13-17)26(30)31)25-11-5-2-6-12-25/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2,(H2,23,24,27,29)