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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (2S)-2-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-[(3-methylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-methylphenyl)-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-[(3-methylbenzoyl)amino]propanoate Traditional Name: (2S)-2-(m-toluoylamino)propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C19H18N4O4/c1-12-6-5-7-14(10-12)17(24)20-13(2)19(26)27-11-23-18(25)15-8-3-4-9-16(15)21-22-23/h3-10,13H,11H2,1-2H3,(H,20,24)/t13-/m0/s1