tert-butyl 4-[2-[(3-nitrophenyl)carbonylamino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(3-nitrophenyl)carbonylamino]ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(3-nitrobenzoyl)amino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[(3-nitrophenyl)-oxomethyl]amino]-1-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(3-nitrobenzoyl)amino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(3-nitrobenzoyl)amino]acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H24N4O6 MolecularWeight: 392.40636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H24N4O6/c1-18(2,3)28-17(25)21-9-7-20(8-10-21)15(23)12-19-16(24)13-5-4-6-14(11-13)22(26)27/h4-6,11H,7-10,12H2,1-3H3,(H,19,24)