5-(1,3-benzodioxol-5-yloxymethyl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]furan-2-carboxamide

Systemtic Name: 5-(1,3-benzodioxol-5-yloxymethyl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]furan-2-carboxamide Openeye Name: 5-(1,3-benzodioxol-5-yloxymethyl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]furan-2-carboxamide CAS Name: 5-(1,3-benzodioxol-5-yloxymethyl)-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-2-furancarboxamide IUPAC Name: 5-(1,3-benzodioxol-5-yloxymethyl)-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]furan-2-carboxamide Traditional Name: 5-(1,3-benzodioxol-5-yloxymethyl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-furamide Formula: C27H22N2O8 MolecularWeight: 502.47218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=C(O3)COC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=C(O3)COC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C27H22N2O8/c1-16-7-17(2)9-22(8-16)36-23-11-18(10-19(12-23)29(31)32)28-27(30)25-6-4-21(37-25)14-33-20-3-5-24-26(13-20)35-15-34-24/h3-13H,14-15H2,1-2H3,(H,28,30)