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

Systemtic Name: N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-nitro-benzamide Openeye Name: N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-nitro-benzamide CAS Name: N-[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-nitrobenzamide Traditional Name: N-[4-(4-isobutyrylpiperazino)phenyl]-3-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)24-12-10-23(11-13-24)18-8-6-17(7-9-18)22-20(26)16-4-3-5-19(14-16)25(28)29/h3-9,14-15H,10-13H2,1-2H3,(H,22,26)