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

Systemtic Name: N-[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]-2-nitro-benzamide Openeye Name: N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-2-nitro-benzamide CAS Name: N-[5-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-2-nitrobenzamide IUPAC Name: N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-2-nitrobenzamide Traditional Name: N-[5-chloro-2-(4-propionylpiperazino)phenyl]-2-nitro-benzamide Formula: C20H21ClN4O4 MolecularWeight: 416.85814

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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=CC=C3[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O4/c1-2-19(26)24-11-9-23(10-12-24)18-8-7-14(21)13-16(18)22-20(27)15-5-3-4-6-17(15)25(28)29/h3-8,13H,2,9-12H2,1H3,(H,22,27)