5-[3-(4-ethanoylphenyl)propoxy]-2-nitro-indene-1,3-dione

Systemtic Name: 5-[3-(4-ethanoylphenyl)propoxy]-2-nitro-indene-1,3-dione Openeye Name: 5-[3-(4-acetylphenyl)propoxy]-2-nitro-indane-1,3-dione CAS Name: 5-[3-(4-acetylphenyl)propoxy]-2-nitroindene-1,3-dione IUPAC Name: 5-[3-(4-acetylphenyl)propoxy]-2-nitroindene-1,3-dione Traditional Name: 5-[3-(4-acetylphenyl)propoxy]-2-nitro-indane-1,3-quinone Formula: C20H17NO6 MolecularWeight: 367.35208

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)CCCOC2=CC3=C(C=C2)C(=O)C(C3=O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)CCCOC2=CC3=C(C=C2)C(=O)C(C3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H17NO6/c1-12(22)14-6-4-13(5-7-14)3-2-10-27-15-8-9-16-17(11-15)20(24)18(19(16)23)21(25)26/h4-9,11,18H,2-3,10H2,1H3