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

Systemtic Name: 4-[[(2R)-2,6-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzoic acid Openeye Name: 4-[[(2R)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid CAS Name: 4-[[(2R)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid IUPAC Name: 4-[[(2R)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid Traditional Name: 4-[[(2R)-3-keto-2,6-dimethyl-1,4-benzoxazin-4-yl]methyl]benzoic acid Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO4/c1-11-3-8-16-15(9-11)19(17(20)12(2)23-16)10-13-4-6-14(7-5-13)18(21)22/h3-9,12H,10H2,1-2H3,(H,21,22)/t12-/m1/s1