2-[1-[[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]methyl]cyclohexyl]ethanoate

Systemtic Name: 2-[1-[[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]methyl]cyclohexyl]ethanoate Openeye Name: 2-[1-[[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]methyl]cyclohexyl]acetate CAS Name: 2-[1-[[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]amino]methyl]cyclohexyl]acetate IUPAC Name: 2-[1-[[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]methyl]cyclohexyl]acetate Traditional Name: 2-[1-[[[2-(4-keto-1,2,3-benzotriazin-3-yl)acetyl]amino]methyl]cyclohexyl]acetate Formula: C18H21N4O4- MolecularWeight: 357.38374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC(=O)[O-])CNC(=O)CN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C1CCC(CC1)(CC(=O)[O-])CNC(=O)CN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H22N4O4/c23-15(19-12-18(10-16(24)25)8-4-1-5-9-18)11-22-17(26)13-6-2-3-7-14(13)20-21-22/h2-3,6-7H,1,4-5,8-12H2,(H,19,23)(H,24,25)/p-1