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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-7-[(4-nitrophenyl)methoxy]chromen-4-one Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-7-[(4-nitrophenyl)methoxy]chromen-4-one CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-7-[(4-nitrophenyl)methoxy]-1-benzopyran-4-one IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-7-[(4-nitrophenyl)methoxy]chromen-4-one Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-7-(4-nitrobenzyl)oxy-chromone Formula: C26H21NO7 MolecularWeight: 459.44744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C26H21NO7/c1-16-25(18-5-10-22-24(13-18)32-12-2-11-31-22)26(28)21-9-8-20(14-23(21)34-16)33-15-17-3-6-19(7-4-17)27(29)30/h3-10,13-14H,2,11-12,15H2,1H3