N-[6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanimidate; phenoxazin-3-one

Systemtic Name: N-[6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanimidate; phenoxazin-3-one Openeye Name: phenoxazin-3-one; N-[2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]ethanimidate CAS Name: 3-phenoxazinone; N-[2,4,5-trihydroxy-6-(hydroxymethyl)-3-oxanyl]ethanimidate IUPAC Name: phenoxazin-3-one; N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidate Traditional Name: phenoxazin-3-one; N-(2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl)acetimidate Formula: C20H21N2O8- MolecularWeight: 417.38934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1C(C(C(OC1O)CO)O)O)[O-].C1=CC=C2C(=C1)N=C3C=CC(=O)C=C3O2

Isomeric SMILES

CC(=NC1C(C(C(OC1O)CO)O)O)[O-].C1=CC=C2C(=C1)N=C3C=CC(=O)C=C3O2

InChI

InChI=1S/C12H7NO2.C8H15NO6/c14-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)13-10;1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h1-7H;4-8,10,12-14H,2H2,1H3,(H,9,11)/p-1