2-[3,3-bis(5-methylfuran-2-yl)butyl]-3-(5-methylfuran-2-yl)-5-nitro-1-benzofuran

Systemtic Name: 2-[3,3-bis(5-methylfuran-2-yl)butyl]-3-(5-methylfuran-2-yl)-5-nitro-1-benzofuran Openeye Name: 2-[3,3-bis(5-methyl-2-furyl)butyl]-3-(5-methyl-2-furyl)-5-nitro-benzofuran CAS Name: 2-[3,3-bis(5-methyl-2-furanyl)butyl]-3-(5-methyl-2-furanyl)-5-nitrobenzofuran IUPAC Name: 2-[3,3-bis(5-methylfuran-2-yl)butyl]-3-(5-methylfuran-2-yl)-5-nitro-1-benzofuran Traditional Name: 2-[3,3-bis(5-methyl-2-furyl)butyl]-3-(5-methyl-2-furyl)-5-nitro-benzofuran Formula: C27H25NO6 MolecularWeight: 459.4905

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=C(OC3=C2C=C(C=C3)[N+](=O)[O-])CCC(C)(C4=CC=C(O4)C)C5=CC=C(O5)C

Isomeric SMILES

CC1=CC=C(O1)C2=C(OC3=C2C=C(C=C3)[N+](=O)[O-])CCC(C)(C4=CC=C(O4)C)C5=CC=C(O5)C

InChI

InChI=1S/C27H25NO6/c1-16-5-9-22(31-16)26-20-15-19(28(29)30)8-10-21(20)34-23(26)13-14-27(4,24-11-6-17(2)32-24)25-12-7-18(3)33-25/h5-12,15H,13-14H2,1-4H3