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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-[(2-methoxyphenyl)carbonylamino]propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(2-methoxybenzoyl)amino]propanoate CAS Name: 3-[[(2-methoxyphenyl)-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-[(2-methoxybenzoyl)amino]propanoate Traditional Name: 3-(o-anisoylamino)propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H18N4O5 MolecularWeight: 382.37002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C19H18N4O5/c1-27-16-9-5-3-7-14(16)18(25)20-11-10-17(24)28-12-23-19(26)13-6-2-4-8-15(13)21-22-23/h2-9H,10-12H2,1H3,(H,20,25)