N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-2-chloranyl-4-nitro-benzamide

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-2-chloranyl-4-nitro-benzamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]-2-chloro-4-nitro-benzamide CAS Name: 2-chloro-N-[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-2-chloro-4-nitrobenzamide Traditional Name: N-[4-(4-butyrylpiperazino)-3-chloro-phenyl]-2-chloro-4-nitro-benzamide Formula: C21H22Cl2N4O4 MolecularWeight: 465.32978

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C21H22Cl2N4O4/c1-2-3-20(28)26-10-8-25(9-11-26)19-7-4-14(12-18(19)23)24-21(29)16-6-5-15(27(30)31)13-17(16)22/h4-7,12-13H,2-3,8-11H2,1H3,(H,24,29)