2-[(2S)-7-methyl-3-oxidanylidene-4-(3-oxidanylpropyl)-1,4-benzoxazin-2-yl]ethanoate

Systemtic Name: 2-[(2S)-7-methyl-3-oxidanylidene-4-(3-oxidanylpropyl)-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-4-(3-hydroxypropyl)-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-4-(3-hydroxypropyl)-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-4-(3-hydroxypropyl)-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-4-(3-hydroxypropyl)-3-keto-7-methyl-1,4-benzoxazin-2-yl]acetate Formula: C14H16NO5- MolecularWeight: 278.28054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(O2)CC(=O)[O-])CCCO

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)[C@@H](O2)CC(=O)[O-])CCCO

InChI

InChI=1S/C14H17NO5/c1-9-3-4-10-11(7-9)20-12(8-13(17)18)14(19)15(10)5-2-6-16/h3-4,7,12,16H,2,5-6,8H2,1H3,(H,17,18)/p-1/t12-/m0/s1