2-(2-oxidanylidene-3H-1,4-benzoxazin-4-yl)ethanoic acid; 1-phenylethanone

Systemtic Name: 2-(2-oxidanylidene-3H-1,4-benzoxazin-4-yl)ethanoic acid; 1-phenylethanone Openeye Name: 2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetic acid; 1-phenylethanone CAS Name: 2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetic acid; 1-phenylethanone IUPAC Name: 2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetic acid; 1-phenylethanone Traditional Name: acetophenone; 2-(2-keto-3H-1,4-benzoxazin-4-yl)acetic acid Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1.C1C(=O)OC2=CC=CC=C2N1CC(=O)O

Isomeric SMILES

CC(=O)C1=CC=CC=C1.C1C(=O)OC2=CC=CC=C2N1CC(=O)O

InChI

InChI=1S/C10H9NO4.C8H8O/c12-9(13)5-11-6-10(14)15-8-4-2-1-3-7(8)11;1-7(9)8-5-3-2-4-6-8/h1-4H,5-6H2,(H,12,13);2-6H,1H3