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

Systemtic Name: N-[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-nitro-benzamide Openeye Name: N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-nitro-benzamide CAS Name: N-[5-chloro-2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-2-nitrobenzamide IUPAC Name: N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-nitrobenzamide Traditional Name: N-[5-chloro-2-(4-isovalerylpiperazino)phenyl]-2-nitro-benzamide Formula: C22H25ClN4O4 MolecularWeight: 444.9113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O4/c1-15(2)13-21(28)26-11-9-25(10-12-26)20-8-7-16(23)14-18(20)24-22(29)17-5-3-4-6-19(17)27(30)31/h3-8,14-15H,9-13H2,1-2H3,(H,24,29)