tert-butyl 4-(3-methyl-4-nitro-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-methyl-4-nitro-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-methyl-4-nitro-benzoyl)piperazine-1-carboxylate CAS Name: 4-[(3-methyl-4-nitrophenyl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-methyl-4-nitrobenzoyl)piperazine-1-carboxylate Traditional Name: 4-(3-methyl-4-nitro-benzoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C17H23N3O5 MolecularWeight: 349.38162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5/c1-12-11-13(5-6-14(12)20(23)24)15(21)18-7-9-19(10-8-18)16(22)25-17(2,3)4/h5-6,11H,7-10H2,1-4H3