2-nitro-5-[2-oxidanyl-3-(2-propylphenoxy)propoxy]indene-1,3-dione

Systemtic Name: 2-nitro-5-[2-oxidanyl-3-(2-propylphenoxy)propoxy]indene-1,3-dione Openeye Name: 5-[2-hydroxy-3-(2-propylphenoxy)propoxy]-2-nitro-indane-1,3-dione CAS Name: 5-[2-hydroxy-3-(2-propylphenoxy)propoxy]-2-nitroindene-1,3-dione IUPAC Name: 5-[2-hydroxy-3-(2-propylphenoxy)propoxy]-2-nitroindene-1,3-dione Traditional Name: 5-[2-hydroxy-3-(2-propylphenoxy)propoxy]-2-nitro-indane-1,3-quinone Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1OCC(COC2=CC3=C(C=C2)C(=O)C(C3=O)[N+](=O)[O-])O

Isomeric SMILES

CCCC1=CC=CC=C1OCC(COC2=CC3=C(C=C2)C(=O)C(C3=O)[N+](=O)[O-])O

InChI

InChI=1S/C21H21NO7/c1-2-5-13-6-3-4-7-18(13)29-12-14(23)11-28-15-8-9-16-17(10-15)21(25)19(20(16)24)22(26)27/h3-4,6-10,14,19,23H,2,5,11-12H2,1H3