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

Systemtic Name: 2-[(2S)-6-chloranyl-4-(2-methylprop-2-enyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-6-chloro-4-(2-methylallyl)-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-6-chloro-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-6-chloro-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-6-chloro-3-keto-4-(2-methylallyl)-1,4-benzoxazin-2-yl]acetate Formula: C14H13ClNO4- MolecularWeight: 294.71032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(C=CC(=C2)Cl)OC(C1=O)CC(=O)[O-]

Isomeric SMILES

CC(=C)CN1C2=C(C=CC(=C2)Cl)O[C@H](C1=O)CC(=O)[O-]

InChI

InChI=1S/C14H14ClNO4/c1-8(2)7-16-10-5-9(15)3-4-11(10)20-12(14(16)19)6-13(17)18/h3-5,12H,1,6-7H2,2H3,(H,17,18)/p-1/t12-/m0/s1