N',N'-diethyl-N-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methyl]propane-1,3-diamine

Systemtic Name: N',N'-diethyl-N-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methyl]propane-1,3-diamine Openeye Name: N',N'-diethyl-N-[(2-nitro-3-phenyl-benzofuran-5-yl)methyl]propane-1,3-diamine CAS Name: N',N'-diethyl-N-[(2-nitro-3-phenyl-5-benzofuranyl)methyl]propane-1,3-diamine IUPAC Name: N',N'-diethyl-N-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methyl]propane-1,3-diamine Traditional Name: diethyl-[3-[(2-nitro-3-phenyl-benzofuran-5-yl)methylamino]propyl]amine Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNCC1=CC2=C(C=C1)OC(=C2C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCCNCC1=CC2=C(C=C1)OC(=C2C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O3/c1-3-24(4-2)14-8-13-23-16-17-11-12-20-19(15-17)21(22(28-20)25(26)27)18-9-6-5-7-10-18/h5-7,9-12,15,23H,3-4,8,13-14,16H2,1-2H3