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

Systemtic Name: 4-[[(2R)-6-methanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzoic acid Openeye Name: 4-[[(2R)-6-formyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid CAS Name: 4-[[(2R)-6-formyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid IUPAC Name: 4-[[(2R)-6-formyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid Traditional Name: 4-[[(2R)-6-formyl-3-keto-2-methyl-1,4-benzoxazin-4-yl]methyl]benzoic acid Formula: C18H15NO5 MolecularWeight: 325.3154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO5/c1-11-17(21)19(9-12-2-5-14(6-3-12)18(22)23)15-8-13(10-20)4-7-16(15)24-11/h2-8,10-11H,9H2,1H3,(H,22,23)/t11-/m1/s1