1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(3-methyl-4-nitro-phenoxy)ethanone

Systemtic Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(3-methyl-4-nitro-phenoxy)ethanone Openeye Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(3-methyl-4-nitro-phenoxy)ethanone CAS Name: 1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-(3-methyl-4-nitrophenoxy)ethanone IUPAC Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(3-methyl-4-nitrophenoxy)ethanone Traditional Name: 1-[4-(2,3-dimethylphenyl)piperazino]-2-(3-methyl-4-nitro-phenoxy)ethanone Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)COC3=CC(=C(C=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)COC3=CC(=C(C=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H25N3O4/c1-15-5-4-6-20(17(15)3)22-9-11-23(12-10-22)21(25)14-28-18-7-8-19(24(26)27)16(2)13-18/h4-8,13H,9-12,14H2,1-3H3