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

Systemtic Name: 4-[(2S)-4-ethyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(2S)-4-ethyl-2-isopropyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoate CAS Name: 4-[(2S)-4-ethyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxobutanoate IUPAC Name: 4-[(2S)-4-ethyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxobutanoate Traditional Name: 4-[(2S)-4-ethyl-2-isopropyl-3-keto-1,4-benzoxazin-6-yl]-4-keto-butyrate Formula: C17H20NO5- MolecularWeight: 318.3444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)CCC(=O)[O-])OC(C1=O)C(C)C

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)CCC(=O)[O-])O[C@H](C1=O)C(C)C

InChI

InChI=1S/C17H21NO5/c1-4-18-12-9-11(13(19)6-8-15(20)21)5-7-14(12)23-16(10(2)3)17(18)22/h5,7,9-10,16H,4,6,8H2,1-3H3,(H,20,21)/p-1/t16-/m0/s1