[3-[(4-ethanoyl-2,3-dihydro-1,4-benzoxazin-6-yl)oxy]-2-oxidanyl-propyl]-propan-2-yl-azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: [3-[(4-ethanoyl-2,3-dihydro-1,4-benzoxazin-6-yl)oxy]-2-oxidanyl-propyl]-propan-2-yl-azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: [3-[(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)oxy]-2-hydroxy-propyl]-isopropyl-ammonium; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: [3-[(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)oxy]-2-hydroxypropyl]-propan-2-ylammonium; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: [3-[(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)oxy]-2-hydroxypropyl]-propan-2-ylazanium; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: [3-[(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)oxy]-2-hydroxy-propyl]-isopropyl-ammonium; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C20H28N2O8 MolecularWeight: 424.44492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC(COC1=CC2=C(C=C1)OCCN2C(=O)C)O.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC(C)[NH2+]CC(COC1=CC2=C(C=C1)OCCN2C(=O)C)O.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C16H24N2O4.C4H4O4/c1-11(2)17-9-13(20)10-22-14-4-5-16-15(8-14)18(12(3)19)6-7-21-16;5-3(6)1-2-4(7)8/h4-5,8,11,13,17,20H,6-7,9-10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+