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

Systemtic Name: 4-[[(2R)-6-ethanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzoic acid Openeye Name: 4-[[(2R)-6-acetyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid CAS Name: 4-[[(2R)-6-acetyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid IUPAC Name: 4-[[(2R)-6-acetyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid Traditional Name: 4-[[(2R)-6-acetyl-3-keto-2-methyl-1,4-benzoxazin-4-yl]methyl]benzoic acid Formula: C19H17NO5 MolecularWeight: 339.34198

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)C)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)C)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H17NO5/c1-11(21)15-7-8-17-16(9-15)20(18(22)12(2)25-17)10-13-3-5-14(6-4-13)19(23)24/h3-9,12H,10H2,1-2H3,(H,23,24)/t12-/m1/s1