4-[4-(2-carboxyethyl)-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(2-carboxyethyl)-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(2-carboxyethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoic acid CAS Name: 4-[4-(2-carboxyethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid IUPAC Name: 4-[4-(2-carboxyethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid Traditional Name: 4-[4-(2-carboxyethyl)-3-keto-2,2-dimethyl-1,4-benzoxazin-6-yl]-4-keto-butyric acid Formula: C17H19NO7 MolecularWeight: 349.33526

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)O)CCC(=O)O)C

Isomeric SMILES

CC1(C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)O)CCC(=O)O)C

InChI

InChI=1S/C17H19NO7/c1-17(2)16(24)18(8-7-15(22)23)11-9-10(3-5-13(11)25-17)12(19)4-6-14(20)21/h3,5,9H,4,6-8H2,1-2H3,(H,20,21)(H,22,23)