(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(cyclohexylcarbonylamino)ethanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(cyclohexylcarbonylamino)ethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(cyclohexanecarbonylamino)acetate CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]acetic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(cyclohexanecarbonylamino)acetate Traditional Name: 2-(cyclohexanecarbonylamino)acetic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C17H20N4O4 MolecularWeight: 344.3651

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C1CCC(CC1)C(=O)NCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H20N4O4/c22-15(10-18-16(23)12-6-2-1-3-7-12)25-11-21-17(24)13-8-4-5-9-14(13)19-20-21/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,18,23)