[3-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-2-oxidanyl-propyl]-propan-2-yl-azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: [3-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-2-oxidanyl-propyl]-propan-2-yl-azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: [3-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-2-hydroxy-propyl]-isopropyl-ammonium; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: [3-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-2-hydroxypropyl]-propan-2-ylammonium; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: [3-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-2-hydroxypropyl]-propan-2-ylazanium; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: [3-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-2-hydroxy-propyl]-isopropyl-ammonium; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C18H26N2O7 MolecularWeight: 382.40824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC(COC1=CC2=C(C=C1)NCCO2)O.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC(C)[NH2+]CC(COC1=CC2=C(C=C1)NCCO2)O.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C14H22N2O3.C4H4O4/c1-10(2)16-8-11(17)9-19-12-3-4-13-14(7-12)18-6-5-15-13;5-3(6)1-2-4(7)8/h3-4,7,10-11,15-17H,5-6,8-9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+