methyl (2S)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxidanylidene-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-9-yl]propanoate

Systemtic Name: methyl (2S)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxidanylidene-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-9-yl]propanoate Openeye Name: methyl (2S)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-9-yl]propanoate CAS Name: (2S)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-9-yl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-9-yl]propanoate Traditional Name: (2S)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-2-methyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-9-yl]propionic acid methyl ester Formula: C24H24NO7+ MolecularWeight: 438.44986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C3=C(C=C2)OC[NH+](C3)C(C)C(=O)OC)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C3=C(C=C2)OC[NH+](C3)[C@@H](C)C(=O)OC)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C24H23NO7/c1-13(24(27)28-3)25-11-17-18(31-12-25)7-5-16-22(26)21(14(2)32-23(16)17)15-4-6-19-20(10-15)30-9-8-29-19/h4-7,10,13H,8-9,11-12H2,1-3H3/p+1/t13-/m0/s1