(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (2S)-2-[(4-tert-butylphenyl)carbonylamino]propanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (2S)-2-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic 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-tert-butylbenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O4/c1-14(23-19(27)15-9-11-16(12-10-15)22(2,3)4)21(29)30-13-26-20(28)17-7-5-6-8-18(17)24-25-26/h5-12,14H,13H2,1-4H3,(H,23,27)/t14-/m0/s1