N-[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[5-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[5-chloro-2-(4-propionylpiperazino)phenyl]-4-ethoxy-3-nitro-benzamide Formula: C22H25ClN4O5 MolecularWeight: 460.9107

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O5/c1-3-21(28)26-11-9-25(10-12-26)18-7-6-16(23)14-17(18)24-22(29)15-5-8-20(32-4-2)19(13-15)27(30)31/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,24,29)