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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C=O)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO5/c1-2-16-18(22)20(10-12-3-6-14(7-4-12)19(23)24)15-9-13(11-21)5-8-17(15)25-16/h3-9,11,16H,2,10H2,1H3,(H,23,24)/t16-/m1/s1