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

Systemtic Name: N-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]-3-nitro-benzamide Openeye Name: N-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]-3-nitro-benzamide CAS Name: N-[4-[4-(2-ethyl-1-oxobutyl)-1-piperazinyl]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]-3-nitrobenzamide Traditional Name: N-[4-[4-(2-ethylbutanoyl)piperazino]phenyl]-3-nitro-benzamide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O4/c1-3-17(4-2)23(29)26-14-12-25(13-15-26)20-10-8-19(9-11-20)24-22(28)18-6-5-7-21(16-18)27(30)31/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,24,28)