tert-butyl 4-(2-chloranyl-4-nitro-phenyl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(2-chloranyl-4-nitro-phenyl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(2-chloro-4-nitro-phenyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(2-chloro-4-nitrophenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-chloro-4-nitrophenyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(2-chloro-4-nitro-phenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C16H22ClN3O4 MolecularWeight: 355.81658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN3O4/c1-16(2,3)24-15(21)19-8-4-7-18(9-10-19)14-6-5-12(20(22)23)11-13(14)17/h5-6,11H,4,7-10H2,1-3H3