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

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

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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)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClNO5/c1-8(2)15-16(22)18(7-13(19)20)11-6-10(14(21)9(3)17)4-5-12(11)23-15/h4-6,8-9,15H,7H2,1-3H3,(H,19,20)/t9-,15+/m0/s1