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

Systemtic Name: 2-[6-[(2S)-2-chloranylpropanoyl]-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoic acid Openeye Name: 2-[6-[(2S)-2-chloropropanoyl]-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetic acid CAS Name: 2-[6-[(2S)-2-chloro-1-oxopropyl]-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetic acid IUPAC Name: 2-[6-[(2S)-2-chloropropanoyl]-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetic acid Traditional Name: 2-[6-[(2S)-2-chloropropanoyl]-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl]acetic acid Formula: C15H16ClNO5 MolecularWeight: 325.74424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC(=O)O)(C)C)Cl

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC(=O)O)(C)C)Cl

InChI

InChI=1S/C15H16ClNO5/c1-8(16)13(20)9-4-5-11-10(6-9)17(7-12(18)19)14(21)15(2,3)22-11/h4-6,8H,7H2,1-3H3,(H,18,19)/t8-/m0/s1