tert-butyl 4-[2-[(4-methyl-3-nitro-phenyl)carbonylamino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(4-methyl-3-nitro-phenyl)carbonylamino]ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(4-methyl-3-nitro-benzoyl)amino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]-1-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(4-methyl-3-nitrobenzoyl)amino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-methyl-3-nitro-benzoyl)amino]acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H26N4O6 MolecularWeight: 406.43294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O6/c1-13-5-6-14(11-15(13)23(27)28)17(25)20-12-16(24)21-7-9-22(10-8-21)18(26)29-19(2,3)4/h5-6,11H,7-10,12H2,1-4H3,(H,20,25)