N-[4-(4-butanoylpiperazin-1-yl)phenyl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-4-chloro-3-nitro-benzamide CAS Name: 4-chloro-3-nitro-N-[4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[4-(4-butyrylpiperazino)phenyl]-4-chloro-3-nitro-benzamide Formula: C21H23ClN4O4 MolecularWeight: 430.88472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O4/c1-2-3-20(27)25-12-10-24(11-13-25)17-7-5-16(6-8-17)23-21(28)15-4-9-18(22)19(14-15)26(29)30/h4-9,14H,2-3,10-13H2,1H3,(H,23,28)