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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H19ClN4O4 MolecularWeight: 426.85296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN4O4/c22-16-7-5-14(6-8-16)19(27)25-11-9-15(10-12-25)21(29)30-13-26-20(28)17-3-1-2-4-18(17)23-24-26/h1-8,15H,9-13H2