1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-(3-methylphenoxy)propan-1-one

Systemtic Name: 1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-(3-methylphenoxy)propan-1-one Openeye Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-(3-methylphenoxy)propan-1-one CAS Name: 1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-2-(3-methylphenoxy)-1-propanone IUPAC Name: 1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-(3-methylphenoxy)propan-1-one Traditional Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-(3-methylphenoxy)propan-1-one Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O4/c1-14-4-3-5-17(12-14)28-15(2)20(25)23-10-8-22(9-11-23)18-7-6-16(21)13-19(18)24(26)27/h3-7,12-13,15H,8-11H2,1-2H3