tert-butyl-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yloxy)-2-oxidanyl-propyl]azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: tert-butyl-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yloxy)-2-oxidanyl-propyl]azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: tert-butyl-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yloxy)-2-hydroxy-propyl]ammonium; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: tert-butyl-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yloxy)-2-hydroxypropyl]ammonium; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: tert-butyl-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yloxy)-2-hydroxypropyl]azanium; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: tert-butyl-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yloxy)-2-hydroxy-propyl]ammonium; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C19H28N2O7 MolecularWeight: 396.43482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CC(COC1=CC2=C(C=C1)OCCN2)O.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)[NH2+]CC(COC1=CC2=C(C=C1)OCCN2)O.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C15H24N2O3.C4H4O4/c1-15(2,3)17-9-11(18)10-20-12-4-5-14-13(8-12)16-6-7-19-14;5-3(6)1-2-4(7)8/h4-5,8,11,16-18H,6-7,9-10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+