bis(phenylmethyl) 2-(2-oxidanylidene-3,4-dihydro-1,4-benzoxazin-3-yl)propanedioate

Systemtic Name: bis(phenylmethyl) 2-(2-oxidanylidene-3,4-dihydro-1,4-benzoxazin-3-yl)propanedioate Openeye Name: dibenzyl 2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)propanedioate CAS Name: 2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)propanedioate Traditional Name: 2-(2-keto-3,4-dihydro-1,4-benzoxazin-3-yl)malonic acid dibenzyl ester Formula: C25H21NO6 MolecularWeight: 431.43734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(C2C(=O)OC3=CC=CC=C3N2)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(C2C(=O)OC3=CC=CC=C3N2)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H21NO6/c27-23(30-15-17-9-3-1-4-10-17)21(24(28)31-16-18-11-5-2-6-12-18)22-25(29)32-20-14-8-7-13-19(20)26-22/h1-14,21-22,26H,15-16H2