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

Systemtic Name: 3-[(2R)-6-[(2S)-2-chloranylpropanoyl]-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate Openeye Name: 3-[(2R)-6-[(2S)-2-chloropropanoyl]-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: 3-[(2R)-6-[(2S)-2-chloro-1-oxopropyl]-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate IUPAC Name: 3-[(2R)-6-[(2S)-2-chloropropanoyl]-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate Traditional Name: 3-[(2R)-6-[(2S)-2-chloropropanoyl]-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]propionate Formula: C17H19ClNO5- MolecularWeight: 352.78946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)C(C)Cl)CCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClNO5/c1-9(2)16-17(23)19(7-6-14(20)21)12-8-11(15(22)10(3)18)4-5-13(12)24-16/h4-5,8-10,16H,6-7H2,1-3H3,(H,20,21)/p-1/t10-,16+/m0/s1