(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-[2-(tert-butylamino)-2-oxidanylidene-ethyl]cyclopentane-1-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-[2-(tert-butylamino)-2-oxidanylidene-ethyl]cyclopentane-1-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-[2-(tert-butylamino)-2-oxo-ethyl]cyclopentanecarboxylate CAS Name: 1-[2-(tert-butylamino)-2-oxoethyl]-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-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxylate Traditional Name: 1-[2-(tert-butylamino)-2-keto-ethyl]cyclopentanecarboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CC1(CCCC1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)(C)NC(=O)CC1(CCCC1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H26N4O4/c1-19(2,3)21-16(25)12-20(10-6-7-11-20)18(27)28-13-24-17(26)14-8-4-5-9-15(14)22-23-24/h4-5,8-9H,6-7,10-13H2,1-3H3,(H,21,25)