(2R)-1-[(2S)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-2-phenyl-ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2R)-1-[(2S)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-2-phenyl-ethanoyl]pyrrolidine-2-carboxylate Openeye Name: (2R)-1-[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-2-phenyl-acetyl]pyrrolidine-2-carboxylate CAS Name: (2R)-1-[(2S)-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)-2-phenylethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2R)-1-[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-2-phenylacetyl]pyrrolidine-2-carboxylate Traditional Name: (2R)-1-[(2S)-2-(4-keto-1,2,3-benzotriazin-3-yl)-2-phenyl-acetyl]pyrrolidine-2-carboxylate Formula: C20H17N4O4- MolecularWeight: 377.37338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4N=N3)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)[C@H](C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4N=N3)C(=O)[O-]

InChI

InChI=1S/C20H18N4O4/c25-18-14-9-4-5-10-15(14)21-22-24(18)17(13-7-2-1-3-8-13)19(26)23-12-6-11-16(23)20(27)28/h1-5,7-10,16-17H,6,11-12H2,(H,27,28)/p-1/t16-,17+/m1/s1