2-[(1R,2R)-2-(benzotriazol-1-yl)-1,2-diphenyl-ethyl]propanedioate

Systemtic Name: 2-[(1R,2R)-2-(benzotriazol-1-yl)-1,2-diphenyl-ethyl]propanedioate Openeye Name: 2-[(1R,2R)-2-(benzotriazol-1-yl)-1,2-diphenyl-ethyl]propanedioate CAS Name: 2-[(1R,2R)-2-(1-benzotriazolyl)-1,2-diphenylethyl]propanedioate IUPAC Name: 2-[(1R,2R)-2-(benzotriazol-1-yl)-1,2-diphenylethyl]propanedioate Traditional Name: 2-[(1R,2R)-2-(benzotriazol-1-yl)-1,2-diphenyl-ethyl]malonate Formula: C23H17N3O4-2 MolecularWeight: 399.39878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(C2=CC=CC=C2)N3C4=CC=CC=C4N=N3)C(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[C@H]([C@H](C2=CC=CC=C2)N3C4=CC=CC=C4N=N3)C(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C23H19N3O4/c27-22(28)20(23(29)30)19(15-9-3-1-4-10-15)21(16-11-5-2-6-12-16)26-18-14-8-7-13-17(18)24-25-26/h1-14,19-21H,(H,27,28)(H,29,30)/p-2/t19-,21-/m0/s1