(2S)-2-(benzotriazol-1-yl)-2-(phenylmethoxycarbonylamino)ethanoate

Systemtic Name: (2S)-2-(benzotriazol-1-yl)-2-(phenylmethoxycarbonylamino)ethanoate Openeye Name: (2S)-2-(benzotriazol-1-yl)-2-(benzyloxycarbonylamino)acetate CAS Name: (2S)-2-(1-benzotriazolyl)-2-(phenylmethoxycarbonylamino)acetate IUPAC Name: (2S)-2-(benzotriazol-1-yl)-2-(phenylmethoxycarbonylamino)acetate Traditional Name: (2S)-2-(benzotriazol-1-yl)-2-(benzyloxycarbonylamino)acetate Formula: C16H13N4O4- MolecularWeight: 325.29882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(C(=O)[O-])N2C3=CC=CC=C3N=N2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@H](C(=O)[O-])N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H14N4O4/c21-15(22)14(20-13-9-5-4-8-12(13)18-19-20)17-16(23)24-10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,17,23)(H,21,22)/p-1/t14-/m0/s1