(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(1,3-dioxoisoindolin-2-yl)-3-phenyl-propanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-phenylpropanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate Traditional Name: 3-phenyl-2-phthalimido-propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C25H18N4O5 MolecularWeight: 454.43422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H18N4O5/c30-22-19-12-6-7-13-20(19)26-27-28(22)15-34-25(33)21(14-16-8-2-1-3-9-16)29-23(31)17-10-4-5-11-18(17)24(29)32/h1-13,21H,14-15H2