2-[(2S)-4-butyl-6-chloranyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate

Systemtic Name: 2-[(2S)-4-butyl-6-chloranyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-4-butyl-6-chloro-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-4-butyl-6-chloro-3-oxo-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-4-butyl-6-chloro-3-oxo-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-4-butyl-6-chloro-3-keto-1,4-benzoxazin-2-yl]acetate Formula: C14H15ClNO4- MolecularWeight: 296.7262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC(=C2)Cl)OC(C1=O)CC(=O)[O-]

Isomeric SMILES

CCCCN1C2=C(C=CC(=C2)Cl)O[C@H](C1=O)CC(=O)[O-]

InChI

InChI=1S/C14H16ClNO4/c1-2-3-6-16-10-7-9(15)4-5-11(10)20-12(14(16)19)8-13(17)18/h4-5,7,12H,2-3,6,8H2,1H3,(H,17,18)/p-1/t12-/m0/s1