N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-(4-butyrylpiperazino)phenyl]-3,5-dinitro-benzamide Formula: C21H23N5O6 MolecularWeight: 441.43722

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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-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O6/c1-2-3-20(27)24-10-8-23(9-11-24)17-6-4-16(5-7-17)22-21(28)15-12-18(25(29)30)14-19(13-15)26(31)32/h4-7,12-14H,2-3,8-11H2,1H3,(H,22,28)