2-[5-chloranyl-1'-[(1-methylbenzotriazol-5-yl)methyl]-2,2',5'-tris(oxidanylidene)spiro[indole-3,3'-pyrrolidine]-1-yl]ethanoic acid

Systemtic Name: 2-[5-chloranyl-1'-[(1-methylbenzotriazol-5-yl)methyl]-2,2',5'-tris(oxidanylidene)spiro[indole-3,3'-pyrrolidine]-1-yl]ethanoic acid Openeye Name: 2-[5-chloro-1'-[(1-methylbenzotriazol-5-yl)methyl]-2,2',5'-trioxo-spiro[indoline-3,3'-pyrrolidine]-1-yl]acetic acid CAS Name: 2-[5-chloro-1'-[(1-methyl-5-benzotriazolyl)methyl]-2,2',5'-trioxo-1-spiro[indole-3,3'-pyrrolidine]yl]acetic acid IUPAC Name: 2-[5-chloro-1'-[(1-methylbenzotriazol-5-yl)methyl]-2,2',5'-trioxospiro[indole-3,3'-pyrrolidine]-1-yl]acetic acid Traditional Name: 2-[5-chloro-2,2',5'-triketo-1'-[(1-methylbenzotriazol-5-yl)methyl]spiro[indoline-3,3'-pyrrolidine]-1-yl]acetic acid Formula: C21H16ClN5O5 MolecularWeight: 453.83524

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)CN3C(=O)CC4(C3=O)C5=C(C=CC(=C5)Cl)N(C4=O)CC(=O)O)N=N1

Isomeric SMILES

CN1C2=C(C=C(C=C2)CN3C(=O)CC4(C3=O)C5=C(C=CC(=C5)Cl)N(C4=O)CC(=O)O)N=N1

InChI

InChI=1S/C21H16ClN5O5/c1-25-16-4-2-11(6-14(16)23-24-25)9-27-17(28)8-21(20(27)32)13-7-12(22)3-5-15(13)26(19(21)31)10-18(29)30/h2-7H,8-10H2,1H3,(H,29,30)