2-[3-[(2-chlorophenyl)methoxy]-2-oxidanyl-propyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[3-[(2-chlorophenyl)methoxy]-2-oxidanyl-propyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[3-[(2-chlorophenyl)methoxy]-2-hydroxy-propyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[3-(2-chlorobenzyl)oxy-2-hydroxy-propyl]-4-nitro-isoindoline-1,3-quinone Formula: C18H15ClN2O6 MolecularWeight: 390.7745

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COCC(CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)COCC(CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])O)Cl

InChI

InChI=1S/C18H15ClN2O6/c19-14-6-2-1-4-11(14)9-27-10-12(22)8-20-17(23)13-5-3-7-15(21(25)26)16(13)18(20)24/h1-7,12,22H,8-10H2