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

Systemtic Name: N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-nitro-benzamide Openeye Name: N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-nitro-benzamide CAS Name: N-[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-2-nitrobenzamide IUPAC Name: N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-nitrobenzamide Traditional Name: N-[4-(4-isobutyrylpiperazino)phenyl]-2-nitro-benzamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c1-15(2)21(27)24-13-11-23(12-14-24)17-9-7-16(8-10-17)22-20(26)18-5-3-4-6-19(18)25(28)29/h3-10,15H,11-14H2,1-2H3,(H,22,26)