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

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

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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=CC=C3OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NC(=O)C3=CC=CC=C3OC

InChI

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