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

Systemtic Name: 2-chloranyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[4-(4-isobutyrylpiperazino)phenyl]-5-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=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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