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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

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