3-[(2R)-2-methyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl]propanoic acid

Systemtic Name: 3-[(2R)-2-methyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: 3-[(2R)-2-methyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]propanoic acid CAS Name: 3-[(2R)-2-methyl-3-oxo-6-(1-oxopropyl)-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: 3-[(2R)-2-methyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: 3-[(2R)-3-keto-2-methyl-6-propionyl-1,4-benzoxazin-4-yl]propionic acid Formula: C15H17NO5 MolecularWeight: 291.29918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CCC(=O)O)C

Isomeric SMILES

CCC(=O)C1=CC2=C(C=C1)O[C@@H](C(=O)N2CCC(=O)O)C

InChI

InChI=1S/C15H17NO5/c1-3-12(17)10-4-5-13-11(8-10)16(7-6-14(18)19)15(20)9(2)21-13/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,19)/t9-/m1/s1