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

Systemtic Name: 4-[[2,2-dimethyl-3-oxidanylidene-4-(2-oxidanylidenepropyl)-1,4-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(4-acetonyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[[2,2-dimethyl-3-oxo-4-(2-oxopropyl)-1,4-benzoxazin-6-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[2,2-dimethyl-3-oxo-4-(2-oxopropyl)-1,4-benzoxazin-6-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[(4-acetonyl-3-keto-2,2-dimethyl-1,4-benzoxazin-6-yl)amino]-4-keto-butyric acid Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C2=C(C=CC(=C2)NC(=O)CCC(=O)O)OC(C1=O)(C)C

Isomeric SMILES

CC(=O)CN1C2=C(C=CC(=C2)NC(=O)CCC(=O)O)OC(C1=O)(C)C

InChI

InChI=1S/C17H20N2O6/c1-10(20)9-19-12-8-11(18-14(21)6-7-15(22)23)4-5-13(12)25-17(2,3)16(19)24/h4-5,8H,6-7,9H2,1-3H3,(H,18,21)(H,22,23)