tert-butyl 4-(4-nitrophenyl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(4-nitrophenyl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(4-nitrophenyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(4-nitrophenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-nitrophenyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(4-nitrophenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C16H23N3O4 MolecularWeight: 321.37152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O4/c1-16(2,3)23-15(20)18-10-4-9-17(11-12-18)13-5-7-14(8-6-13)19(21)22/h5-8H,4,9-12H2,1-3H3