5-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-2-nitro-indene-1,3-dione

Systemtic Name: 5-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-2-nitro-indene-1,3-dione Openeye Name: 5-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-2-nitro-indane-1,3-dione CAS Name: 5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-2-nitroindene-1,3-dione IUPAC Name: 5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-2-nitroindene-1,3-dione Traditional Name: 5-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-2-nitro-indane-1,3-quinone Formula: C23H23NO8 MolecularWeight: 441.43062

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=CC3=C(C=C2)C(=O)C(C3=O)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=CC3=C(C=C2)C(=O)C(C3=O)[N+](=O)[O-]

InChI

InChI=1S/C23H23NO8/c1-3-5-17-19(9-8-15(13(2)25)21(17)26)32-11-4-10-31-14-6-7-16-18(12-14)23(28)20(22(16)27)24(29)30/h6-9,12,20,26H,3-5,10-11H2,1-2H3