4-[2,2-dimethyl-4-(2-oxidanidyl-2-oxidanylidene-ethyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[2,2-dimethyl-4-(2-oxidanidyl-2-oxidanylidene-ethyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[2,2-dimethyl-4-(2-oxido-2-oxo-ethyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoate CAS Name: 4-[2,2-dimethyl-4-(2-oxido-2-oxoethyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate IUPAC Name: 4-[2,2-dimethyl-4-(2-oxido-2-oxoethyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[3-keto-4-(2-keto-2-oxido-ethyl)-2,2-dimethyl-1,4-benzoxazin-6-yl]butyrate Formula: C16H15NO7-2 MolecularWeight: 333.2928

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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-])CC(=O)[O-])C

Isomeric SMILES

CC1(C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)[O-])CC(=O)[O-])C

InChI

InChI=1S/C16H17NO7/c1-16(2)15(23)17(8-14(21)22)10-7-9(3-5-12(10)24-16)11(18)4-6-13(19)20/h3,5,7H,4,6,8H2,1-2H3,(H,19,20)(H,21,22)/p-2