3-oxidanylidene-4H-1,4-benzoxazine-6-carboxylic acid; 1-phenylethanone

Systemtic Name: 3-oxidanylidene-4H-1,4-benzoxazine-6-carboxylic acid; 1-phenylethanone Openeye Name: 3-oxo-4H-1,4-benzoxazine-6-carboxylic acid; 1-phenylethanone CAS Name: 3-oxo-4H-1,4-benzoxazine-6-carboxylic acid; 1-phenylethanone IUPAC Name: 3-oxo-4H-1,4-benzoxazine-6-carboxylic acid; 1-phenylethanone Traditional Name: acetophenone; 3-keto-4H-1,4-benzoxazine-6-carboxylic acid Formula: C17H15NO5 MolecularWeight: 313.3047

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1.C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=CC=C1.C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)O

InChI

InChI=1S/C9H7NO4.C8H8O/c11-8-4-14-7-2-1-5(9(12)13)3-6(7)10-8;1-7(9)8-5-3-2-4-6-8/h1-3H,4H2,(H,10,11)(H,12,13);2-6H,1H3