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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: 3-[[(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 3-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: 3-[(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)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C22H24N4O4/c1-22(2,3)16-10-8-15(9-11-16)20(28)23-13-12-19(27)30-14-26-21(29)17-6-4-5-7-18(17)24-25-26/h4-11H,12-14H2,1-3H3,(H,23,28)