3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-[(3-nitrophenyl)methyl]-5-oxidanyl-furan-2-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-[(3-nitrophenyl)methyl]-5-oxidanyl-furan-2-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(3-nitrophenyl)methyl]furan-2-one CAS Name: 3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(3-nitrophenyl)methyl]-2-furanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(3-nitrophenyl)methyl]furan-2-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-(3-nitrobenzyl)furan-2-one Formula: C25H19NO8 MolecularWeight: 461.42026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=C(C=C3)OCO4)CC5=CC(=CC=C5)[N+](=O)[O-])O

Isomeric SMILES

COC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=C(C=C3)OCO4)CC5=CC(=CC=C5)[N+](=O)[O-])O

InChI

InChI=1S/C25H19NO8/c1-31-19-8-6-17(7-9-19)25(28)20(12-15-3-2-4-18(11-15)26(29)30)23(24(27)34-25)16-5-10-21-22(13-16)33-14-32-21/h2-11,13,28H,12,14H2,1H3