propan-2-yl 2-[(2-azido-1H-benzimidazol-4-yl)carbonylamino]ethanoate

Systemtic Name: propan-2-yl 2-[(2-azido-1H-benzimidazol-4-yl)carbonylamino]ethanoate Openeye Name: isopropyl 2-[(2-azido-1H-benzimidazole-4-carbonyl)amino]acetate CAS Name: 2-[[(2-azido-1H-benzimidazol-4-yl)-oxomethyl]amino]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(2-azido-1H-benzimidazole-4-carbonyl)amino]acetate Traditional Name: 2-[(2-azido-1H-benzimidazole-4-carbonyl)amino]acetic acid isopropyl ester Formula: C13H14N6O3 MolecularWeight: 302.28866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CNC(=O)C1=C2C(=CC=C1)NC(=N2)N=[N+]=[N-]

Isomeric SMILES

CC(C)OC(=O)CNC(=O)C1=C2C(=CC=C1)NC(=N2)N=[N+]=[N-]

InChI

InChI=1S/C13H14N6O3/c1-7(2)22-10(20)6-15-12(21)8-4-3-5-9-11(8)17-13(16-9)18-19-14/h3-5,7H,6H2,1-2H3,(H,15,21)(H,16,17)