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

Systemtic Name: (2R)-2-[(2R)-2-methyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: (2R)-2-[(2R)-2-methyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]propanoic acid CAS Name: (2R)-2-[(2R)-2-methyl-3-oxo-6-(1-oxopropyl)-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: (2R)-2-[(2R)-2-methyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: (2R)-2-[(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)N2C(C)C(=O)O)C

Isomeric SMILES

CCC(=O)C1=CC2=C(C=C1)O[C@@H](C(=O)N2[C@H](C)C(=O)O)C

InChI

InChI=1S/C15H17NO5/c1-4-12(17)10-5-6-13-11(7-10)16(8(2)15(19)20)14(18)9(3)21-13/h5-9H,4H2,1-3H3,(H,19,20)/t8-,9-/m1/s1