2-[(4R)-3-chloranyl-4,5-dihydro-1,2-oxazol-4-yl]isoindole-1,3-dione; ethanoic acid

Systemtic Name: 2-[(4R)-3-chloranyl-4,5-dihydro-1,2-oxazol-4-yl]isoindole-1,3-dione; ethanoic acid Openeye Name: acetic acid; 2-[(4R)-3-chloro-4,5-dihydroisoxazol-4-yl]isoindoline-1,3-dione CAS Name: acetic acid; 2-[(4R)-3-chloro-4,5-dihydroisoxazol-4-yl]isoindole-1,3-dione IUPAC Name: acetic acid; 2-[(4R)-3-chloro-4,5-dihydro-1,2-oxazol-4-yl]isoindole-1,3-dione Traditional Name: acetic acid; 2-[(4R)-3-chloro-2-isoxazolin-4-yl]isoindoline-1,3-quinone Formula: C13H11ClN2O5 MolecularWeight: 310.68984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1C(C(=NO1)Cl)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(=O)O.C1[C@H](C(=NO1)Cl)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C11H7ClN2O3.C2H4O2/c12-9-8(5-17-13-9)14-10(15)6-3-1-2-4-7(6)11(14)16;1-2(3)4/h1-4,8H,5H2;1H3,(H,3,4)/t8-;/m1./s1