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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)C(C)Cl)CCC(=O)O

Isomeric SMILES

C[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)[C@H](C)Cl)CCC(=O)O

InChI

InChI=1S/C15H16ClNO5/c1-8(16)14(20)10-3-4-12-11(7-10)17(6-5-13(18)19)15(21)9(2)22-12/h3-4,7-9H,5-6H2,1-2H3,(H,18,19)/t8-,9+/m0/s1