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

Systemtic Name: N-[3-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-nitro-benzamide Openeye Name: N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-nitro-benzamide CAS Name: N-[3-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-nitrobenzamide Traditional Name: N-[3-chloro-2-(4-isobutyrylpiperazino)phenyl]-4-nitro-benzamide Formula: C21H23ClN4O4 MolecularWeight: 430.88472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O4/c1-14(2)21(28)25-12-10-24(11-13-25)19-17(22)4-3-5-18(19)23-20(27)15-6-8-16(9-7-15)26(29)30/h3-9,14H,10-13H2,1-2H3,(H,23,27)