3-(1H-imidazol-5-yl)propyl N-(2-nitrophenyl)carbamate

Systemtic Name: 3-(1H-imidazol-5-yl)propyl N-(2-nitrophenyl)carbamate Openeye Name: 3-(1H-imidazol-5-yl)propyl N-(2-nitrophenyl)carbamate CAS Name: N-(2-nitrophenyl)carbamic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: 3-(1H-imidazol-5-yl)propyl N-(2-nitrophenyl)carbamate Traditional Name: N-(2-nitrophenyl)carbamic acid 3-(1H-imidazol-5-yl)propyl ester Formula: C13H14N4O4 MolecularWeight: 290.27466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)OCCCC2=CN=CN2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)OCCCC2=CN=CN2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O4/c18-13(21-7-3-4-10-8-14-9-15-10)16-11-5-1-2-6-12(11)17(19)20/h1-2,5-6,8-9H,3-4,7H2,(H,14,15)(H,16,18)