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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-(2-methylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2-methylphenyl)-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-(2-methylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-o-toluoylisonipecotic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H22N4O4/c1-15-6-2-3-7-17(15)20(27)25-12-10-16(11-13-25)22(29)30-14-26-21(28)18-8-4-5-9-19(18)23-24-26/h2-9,16H,10-14H2,1H3