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

Systemtic Name: 4-[4-(methoxymethyl)-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(methoxymethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoic acid CAS Name: 4-[4-(methoxymethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid IUPAC Name: 4-[4-(methoxymethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[3-keto-4-(methoxymethyl)-2,2-dimethyl-1,4-benzoxazin-6-yl]butyric acid Formula: C16H19NO6 MolecularWeight: 321.32516

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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)COC)C

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO6/c1-16(2)15(21)17(9-22-3)11-8-10(4-6-13(11)23-16)12(18)5-7-14(19)20/h4,6,8H,5,7,9H2,1-3H3,(H,19,20)