(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(4-fluorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(4-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(4-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(4-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(4-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(4-fluorobenzoyl)amino]-3-methyl-butyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H19FN4O4 MolecularWeight: 398.387663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)C(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H19FN4O4/c1-12(2)17(22-18(26)13-7-9-14(21)10-8-13)20(28)29-11-25-19(27)15-5-3-4-6-16(15)23-24-25/h3-10,12,17H,11H2,1-2H3,(H,22,26)