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

Systemtic Name: 3-[6-[(2S)-2-chloranylpropanoyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: 3-[6-[(2S)-2-chloropropanoyl]-3-oxo-1,4-benzoxazin-4-yl]propanoic acid CAS Name: 3-[6-[(2S)-2-chloro-1-oxopropyl]-3-oxo-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: 3-[6-[(2S)-2-chloropropanoyl]-3-oxo-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: 3-[6-[(2S)-2-chloropropanoyl]-3-keto-1,4-benzoxazin-4-yl]propionic acid Formula: C14H14ClNO5 MolecularWeight: 311.71766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2CCC(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClNO5/c1-8(15)14(20)9-2-3-11-10(6-9)16(5-4-13(18)19)12(17)7-21-11/h2-3,6,8H,4-5,7H2,1H3,(H,18,19)/t8-/m0/s1