[1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate

Systemtic Name: [1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate Openeye Name: [2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate CAS Name: 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid [1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate Traditional Name: 3-(4-keto-1,2,3-benzotriazin-3-yl)propionic acid [2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)OC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C(=O)NC1CCCC1)OC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H22N4O4/c1-12(17(24)19-13-6-2-3-7-13)26-16(23)10-11-22-18(25)14-8-4-5-9-15(14)20-21-22/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,19,24)