3-[(6-ethanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzoic acid

Systemtic Name: 3-[(6-ethanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzoic acid Openeye Name: 3-[(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoic acid CAS Name: 3-[(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoic acid IUPAC Name: 3-[(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoic acid Traditional Name: 3-[(6-acetyl-3-keto-1,4-benzoxazin-4-yl)methyl]benzoic acid Formula: C18H15NO5 MolecularWeight: 325.3154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H15NO5/c1-11(20)13-5-6-16-15(8-13)19(17(21)10-24-16)9-12-3-2-4-14(7-12)18(22)23/h2-8H,9-10H2,1H3,(H,22,23)