[2-(2,2-diphenylethylamino)-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate

Systemtic Name: [2-(2,2-diphenylethylamino)-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate Openeye Name: [2-(2,2-diphenylethylamino)-2-oxo-ethyl] 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate CAS Name: 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid [2-(2,2-diphenylethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,2-diphenylethylamino)-2-oxoethyl] 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate Traditional Name: 3-(4-keto-1,2,3-benzotriazin-3-yl)propionic acid [2-(2,2-diphenylethylamino)-2-keto-ethyl] ester Formula: C26H24N4O4 MolecularWeight: 456.49316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNC(=O)COC(=O)CCN2C(=O)C3=CC=CC=C3N=N2)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CNC(=O)COC(=O)CCN2C(=O)C3=CC=CC=C3N=N2)C4=CC=CC=C4

InChI

InChI=1S/C26H24N4O4/c31-24(27-17-22(19-9-3-1-4-10-19)20-11-5-2-6-12-20)18-34-25(32)15-16-30-26(33)21-13-7-8-14-23(21)28-29-30/h1-14,22H,15-18H2,(H,27,31)