(phenylmethyl) N-[(2S)-1-azido-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-azido-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-azido-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-azido-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-azido-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-azido-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]carbamic acid benzyl ester Formula: C14H14N6O3 MolecularWeight: 314.29936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CN=CN2)C(=O)N=[N+]=[N-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CN=CN2)C(=O)N=[N+]=[N-]

InChI

InChI=1S/C14H14N6O3/c15-20-19-13(21)12(6-11-7-16-9-17-11)18-14(22)23-8-10-4-2-1-3-5-10/h1-5,7,9,12H,6,8H2,(H,16,17)(H,18,22)/t12-/m0/s1