2-[(2R)-6-chloranyl-3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[(2R)-6-chloranyl-3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2R)-4-allyl-6-chloro-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2R)-6-chloro-3-oxo-4-prop-2-enyl-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2R)-6-chloro-3-oxo-4-prop-2-enyl-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2R)-4-allyl-6-chloro-3-keto-1,4-benzoxazin-2-yl]acetic acid Formula: C13H12ClNO4 MolecularWeight: 281.69168

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=CC(=C2)Cl)OC(C1=O)CC(=O)O

Isomeric SMILES

C=CCN1C2=C(C=CC(=C2)Cl)O[C@@H](C1=O)CC(=O)O

InChI

InChI=1S/C13H12ClNO4/c1-2-5-15-9-6-8(14)3-4-10(9)19-11(13(15)18)7-12(16)17/h2-4,6,11H,1,5,7H2,(H,16,17)/t11-/m1/s1