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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(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-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H24N4O4/c26-18(29-12-25-19(27)16-3-1-2-4-17(16)23-24-25)11-22-20(28)21-8-13-5-14(9-21)7-15(6-13)10-21/h1-4,13-15H,5-12H2,(H,22,28)