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

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-nitro-benzamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-nitro-benzamide CAS Name: 2-nitro-N-[4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-nitrobenzamide Traditional Name: N-[4-(4-butyrylpiperazino)phenyl]-2-nitro-benzamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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