3-[6-[(2S)-2-chloranylpropanoyl]-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate

Systemtic Name: 3-[6-[(2S)-2-chloranylpropanoyl]-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: 3-[6-[(2S)-2-chloropropanoyl]-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: 3-[6-[(2S)-2-chloro-1-oxopropyl]-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propanoate IUPAC Name: 3-[6-[(2S)-2-chloropropanoyl]-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propanoate Traditional Name: 3-[6-[(2S)-2-chloropropanoyl]-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl]propionate Formula: C16H17ClNO5- MolecularWeight: 338.76288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OC(C(=O)N2CCC(=O)[O-])(C)C)Cl

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)OC(C(=O)N2CCC(=O)[O-])(C)C)Cl

InChI

InChI=1S/C16H18ClNO5/c1-9(17)14(21)10-4-5-12-11(8-10)18(7-6-13(19)20)15(22)16(2,3)23-12/h4-5,8-9H,6-7H2,1-3H3,(H,19,20)/p-1/t9-/m0/s1