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

Systemtic Name: N-[3-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[3-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[3-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=CC=C2Cl)NC(=O)C3=CC(=C(C=C3)OCC)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC(=C(C=C3)OCC)[N+](=O)[O-]

InChI

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