4-[(2S)-4-(methoxymethyl)-2-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2S)-4-(methoxymethyl)-2-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2S)-4-(methoxymethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoic acid CAS Name: 4-[(2S)-4-(methoxymethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid IUPAC Name: 4-[(2S)-4-(methoxymethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[(2S)-3-keto-4-(methoxymethyl)-2-methyl-1,4-benzoxazin-6-yl]butyric acid Formula: C15H17NO6 MolecularWeight: 307.29858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)O)COC

Isomeric SMILES

C[C@H]1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)O)COC

InChI

InChI=1S/C15H17NO6/c1-9-15(20)16(8-21-2)11-7-10(3-5-13(11)22-9)12(17)4-6-14(18)19/h3,5,7,9H,4,6,8H2,1-2H3,(H,18,19)/t9-/m0/s1