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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-[(4-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-methoxyphenyl)-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 (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-(p-anisoylamino)butyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H22N4O5 MolecularWeight: 410.42318

Click to see the large picture

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)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22N4O5/c1-13(2)18(22-19(26)14-8-10-15(29-3)11-9-14)21(28)30-12-25-20(27)16-6-4-5-7-17(16)23-24-25/h4-11,13,18H,12H2,1-3H3,(H,22,26)/t18-/m0/s1