1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-3-(3,5-dimethylphenoxy)propan-1-one

Systemtic Name: 1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-3-(3,5-dimethylphenoxy)propan-1-one Openeye Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-3-(3,5-dimethylphenoxy)propan-1-one CAS Name: 1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-3-(3,5-dimethylphenoxy)-1-propanone IUPAC Name: 1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-3-(3,5-dimethylphenoxy)propan-1-one Traditional Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazino]-3-(3,5-dimethylphenoxy)propan-1-one Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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