2-chloranyl-N-[3-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[3-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[3-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[3-chloro-2-(4-propionylpiperazino)phenyl]-5-nitro-benzamide Formula: C20H20Cl2N4O4 MolecularWeight: 451.3032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H20Cl2N4O4/c1-2-18(27)24-8-10-25(11-9-24)19-16(22)4-3-5-17(19)23-20(28)14-12-13(26(29)30)6-7-15(14)21/h3-7,12H,2,8-11H2,1H3,(H,23,28)