1-[4-[4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-phenyl]carbonylpiperazin-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[4-[4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-phenyl]carbonylpiperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoyl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[[4-(4-chloro-2-nitrophenoxy)-3-methoxyphenyl]-oxomethyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoyl]piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoyl]piperazino]-2-methyl-propan-1-one Formula: C22H24ClN3O6 MolecularWeight: 461.89546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C22H24ClN3O6/c1-14(2)21(27)24-8-10-25(11-9-24)22(28)15-4-6-19(20(12-15)31-3)32-18-7-5-16(23)13-17(18)26(29)30/h4-7,12-14H,8-11H2,1-3H3