(phenylmethyl) 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: (phenylmethyl) 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: benzyl 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzoxazin-4-yl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzoxazin-4-yl)propionic acid benzyl ester Formula: C18H17NO4 MolecularWeight: 311.33188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H17NO4/c20-17-13-22-16-9-5-4-8-15(16)19(17)11-10-18(21)23-12-14-6-2-1-3-7-14/h1-9H,10-13H2