3-nitro-2-oxidanyl-7-(3-phenoxypropoxy)-8-propyl-chromen-4-one

Systemtic Name: 3-nitro-2-oxidanyl-7-(3-phenoxypropoxy)-8-propyl-chromen-4-one Openeye Name: 2-hydroxy-3-nitro-7-(3-phenoxypropoxy)-8-propyl-chromen-4-one CAS Name: 2-hydroxy-3-nitro-7-(3-phenoxypropoxy)-8-propyl-1-benzopyran-4-one IUPAC Name: 2-hydroxy-3-nitro-7-(3-phenoxypropoxy)-8-propylchromen-4-one Traditional Name: 2-hydroxy-3-nitro-7-(3-phenoxypropoxy)-8-propyl-chromone Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(=C(C2=O)[N+](=O)[O-])O)OCCCOC3=CC=CC=C3

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(=C(C2=O)[N+](=O)[O-])O)OCCCOC3=CC=CC=C3

InChI

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