1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone

Systemtic Name: 1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone Openeye Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-(3-isopropylphenoxy)ethanone CAS Name: 1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-2-(3-propan-2-ylphenoxy)ethanone IUPAC Name: 1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone Traditional Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-(3-isopropylphenoxy)ethanone Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H24ClN3O4/c1-15(2)16-4-3-5-18(12-16)29-14-21(26)24-10-8-23(9-11-24)19-7-6-17(22)13-20(19)25(27)28/h3-7,12-13,15H,8-11,14H2,1-2H3