3-(1H-imidazol-5-yl)propyl N-[(3-nitrophenyl)methyl]carbamate

Systemtic Name: 3-(1H-imidazol-5-yl)propyl N-[(3-nitrophenyl)methyl]carbamate Openeye Name: 3-(1H-imidazol-5-yl)propyl N-[(3-nitrophenyl)methyl]carbamate CAS Name: N-[(3-nitrophenyl)methyl]carbamic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: 3-(1H-imidazol-5-yl)propyl N-[(3-nitrophenyl)methyl]carbamate Traditional Name: N-(3-nitrobenzyl)carbamic acid 3-(1H-imidazol-5-yl)propyl ester Formula: C14H16N4O4 MolecularWeight: 304.30124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O4/c19-14(22-6-2-4-12-9-15-10-17-12)16-8-11-3-1-5-13(7-11)18(20)21/h1,3,5,7,9-10H,2,4,6,8H2,(H,15,17)(H,16,19)