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

Systemtic Name: tert-butyl 4-(3-nitro-4-phenylazanyl-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(4-anilino-3-nitro-benzoyl)piperazine-1-carboxylate CAS Name: 4-[(4-anilino-3-nitrophenyl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-anilino-3-nitrobenzoyl)piperazine-1-carboxylate Traditional Name: 4-(4-anilino-3-nitro-benzoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C22H26N4O5 MolecularWeight: 426.46564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O5/c1-22(2,3)31-21(28)25-13-11-24(12-14-25)20(27)16-9-10-18(19(15-16)26(29)30)23-17-7-5-4-6-8-17/h4-10,15,23H,11-14H2,1-3H3