4-[(2R)-2-ethyl-4-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(2R)-2-ethyl-4-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(2R)-2-ethyl-4-methyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoate CAS Name: 4-[(2R)-2-ethyl-4-methyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate IUPAC Name: 4-[(2R)-2-ethyl-4-methyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate Traditional Name: 4-[(2R)-2-ethyl-3-keto-4-methyl-1,4-benzoxazin-6-yl]-4-keto-butyrate Formula: C15H16NO5- MolecularWeight: 290.29124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO5/c1-3-12-15(20)16(2)10-8-9(4-6-13(10)21-12)11(17)5-7-14(18)19/h4,6,8,12H,3,5,7H2,1-2H3,(H,18,19)/p-1/t12-/m1/s1