4-[(6-ethanoyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzoic acid

Systemtic Name: 4-[(6-ethanoyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzoic acid Openeye Name: 4-[(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoic acid CAS Name: 4-[(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoic acid IUPAC Name: 4-[(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoic acid Traditional Name: 4-[(6-acetyl-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl)methyl]benzoic acid Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO5/c1-12(22)15-8-9-17-16(10-15)21(19(25)20(2,3)26-17)11-13-4-6-14(7-5-13)18(23)24/h4-10H,11H2,1-3H3,(H,23,24)