4-[3-(4-chloranyl-3-nitro-phenoxy)propyl]isoindole-1,3-dione

Systemtic Name: 4-[3-(4-chloranyl-3-nitro-phenoxy)propyl]isoindole-1,3-dione Openeye Name: 4-[3-(4-chloro-3-nitro-phenoxy)propyl]isoindoline-1,3-dione CAS Name: 4-[3-(4-chloro-3-nitrophenoxy)propyl]isoindole-1,3-dione IUPAC Name: 4-[3-(4-chloro-3-nitrophenoxy)propyl]isoindole-1,3-dione Traditional Name: 4-[3-(4-chloro-3-nitro-phenoxy)propyl]isoindoline-1,3-quinone Formula: C17H13ClN2O5 MolecularWeight: 360.74852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)CCCOC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)NC2=O

Isomeric SMILES

C1=CC2=C(C(=C1)CCCOC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)NC2=O

InChI

InChI=1S/C17H13ClN2O5/c18-13-7-6-11(9-14(13)20(23)24)25-8-2-4-10-3-1-5-12-15(10)17(22)19-16(12)21/h1,3,5-7,9H,2,4,8H2,(H,19,21,22)