[4-[3-(dibutylamino)propoxy]phenyl]-(5-nitro-2-propan-2-yl-1-benzofuran-3-yl)methanone

Systemtic Name: [4-[3-(dibutylamino)propoxy]phenyl]-(5-nitro-2-propan-2-yl-1-benzofuran-3-yl)methanone Openeye Name: [4-[3-(dibutylamino)propoxy]phenyl]-(2-isopropyl-5-nitro-benzofuran-3-yl)methanone CAS Name: [4-[3-(dibutylamino)propoxy]phenyl]-(5-nitro-2-propan-2-yl-3-benzofuranyl)methanone IUPAC Name: [4-[3-(dibutylamino)propoxy]phenyl]-(5-nitro-2-propan-2-yl-1-benzofuran-3-yl)methanone Traditional Name: [4-[3-(dibutylamino)propoxy]phenyl]-(2-isopropyl-5-nitro-benzofuran-3-yl)methanone Formula: C29H38N2O5 MolecularWeight: 494.62242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C2=C(OC3=C2C=C(C=C3)[N+](=O)[O-])C(C)C

Isomeric SMILES

CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C2=C(OC3=C2C=C(C=C3)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C29H38N2O5/c1-5-7-16-30(17-8-6-2)18-9-19-35-24-13-10-22(11-14-24)28(32)27-25-20-23(31(33)34)12-15-26(25)36-29(27)21(3)4/h10-15,20-21H,5-9,16-19H2,1-4H3