(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-(4-chlorophenyl)cyclopentanecarboxylate CAS Name: 1-(4-chlorophenyl)-1-cyclopentanecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(4-chlorophenyl)cyclopentanecarboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H18ClN3O3 MolecularWeight: 383.82822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H18ClN3O3/c21-15-9-7-14(8-10-15)20(11-3-4-12-20)19(26)27-13-24-18(25)16-5-1-2-6-17(16)22-23-24/h1-2,5-10H,3-4,11-13H2