1-[4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-yl]-2,2-dimethyl-propan-1-one

Systemtic Name: 1-[4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[4-[3-(2-furylmethylamino)-4-nitro-phenyl]piperazin-1-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[4-[3-(2-furanylmethylamino)-4-nitrophenyl]-1-piperazinyl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]piperazin-1-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[4-[3-(2-furfurylamino)-4-nitro-phenyl]piperazino]-2,2-dimethyl-propan-1-one Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3

Isomeric SMILES

CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3

InChI

InChI=1S/C20H26N4O4/c1-20(2,3)19(25)23-10-8-22(9-11-23)15-6-7-18(24(26)27)17(13-15)21-14-16-5-4-12-28-16/h4-7,12-13,21H,8-11,14H2,1-3H3