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

Systemtic Name: 4-[2,2-dimethyl-4-(3-oxidanidyl-3-oxidanylidene-propyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[2,2-dimethyl-4-(3-oxido-3-oxo-propyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoate CAS Name: 4-[2,2-dimethyl-4-(3-oxido-3-oxopropyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate IUPAC Name: 4-[2,2-dimethyl-4-(3-oxido-3-oxopropyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[3-keto-4-(3-keto-3-oxido-propyl)-2,2-dimethyl-1,4-benzoxazin-6-yl]butyrate Formula: C17H17NO7-2 MolecularWeight: 347.31938

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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)/p-2