4-chloranyl-N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]-3-nitro-benzamide Formula: C22H24Cl2N4O4 MolecularWeight: 479.35636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24Cl2N4O4/c1-14(2)11-21(29)27-9-7-26(8-10-27)19-6-4-16(13-18(19)24)25-22(30)15-3-5-17(23)20(12-15)28(31)32/h3-6,12-14H,7-11H2,1-2H3,(H,25,30)