3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-[(4-nitrophenyl)methoxy]-6-propyl-chromen-4-one

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-[(4-nitrophenyl)methoxy]-6-propyl-chromen-4-one Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-[(4-nitrophenyl)methoxy]-6-propyl-chromen-4-one CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-[(4-nitrophenyl)methoxy]-6-propyl-1-benzopyran-4-one IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-[(4-nitrophenyl)methoxy]-6-propylchromen-4-one Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-(4-nitrobenzyl)oxy-6-propyl-chromone Formula: C28H25NO7 MolecularWeight: 487.5006

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)OCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)OCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H25NO7/c1-2-4-20-13-22-26(15-25(20)35-16-18-5-8-21(9-6-18)29(31)32)36-17-23(28(22)30)19-7-10-24-27(14-19)34-12-3-11-33-24/h5-10,13-15,17H,2-4,11-12,16H2,1H3