7-[2-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)ethoxy]-3-nitro-2-oxidanyl-chromen-4-one

Systemtic Name: 7-[2-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)ethoxy]-3-nitro-2-oxidanyl-chromen-4-one Openeye Name: 7-[2-(4-acetyl-3-hydroxy-2-propyl-phenoxy)ethoxy]-2-hydroxy-3-nitro-chromen-4-one CAS Name: 7-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethoxy]-2-hydroxy-3-nitro-1-benzopyran-4-one IUPAC Name: 7-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethoxy]-2-hydroxy-3-nitrochromen-4-one Traditional Name: 7-[2-(4-acetyl-3-hydroxy-2-propyl-phenoxy)ethoxy]-2-hydroxy-3-nitro-chromone Formula: C22H21NO9 MolecularWeight: 443.40344

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCOC2=CC3=C(C=C2)C(=O)C(=C(O3)O)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCOC2=CC3=C(C=C2)C(=O)C(=C(O3)O)[N+](=O)[O-]

InChI

InChI=1S/C22H21NO9/c1-3-4-15-17(8-7-14(12(2)24)20(15)25)31-10-9-30-13-5-6-16-18(11-13)32-22(27)19(21(16)26)23(28)29/h5-8,11,25,27H,3-4,9-10H2,1-2H3