[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone

Systemtic Name: [4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [4-[2-(4-chlorophenoxy)ethyl]-1-piperazinyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [4-[2-(4-chlorophenoxy)ethyl]piperazino]-(4-methyl-3-nitro-phenyl)methanone Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CCOC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CCOC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O4/c1-15-2-3-16(14-19(15)24(26)27)20(25)23-10-8-22(9-11-23)12-13-28-18-6-4-17(21)5-7-18/h2-7,14H,8-13H2,1H3