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

Systemtic Name: 3-[6-[(2S)-2-chloranylpropanoyl]-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: 3-[6-[(2S)-2-chloropropanoyl]-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid CAS Name: 3-[6-[(2S)-2-chloro-1-oxopropyl]-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: 3-[6-[(2S)-2-chloropropanoyl]-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: 3-[6-[(2S)-2-chloropropanoyl]-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl]propionic acid Formula: C16H18ClNO5 MolecularWeight: 339.77082

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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)/t9-/m0/s1