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

Systemtic Name: N-[3-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]-3-nitro-benzamide Openeye Name: N-[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-3-nitro-benzamide CAS Name: N-[3-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-3-nitrobenzamide IUPAC Name: N-[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-3-nitrobenzamide Traditional Name: N-[3-chloro-2-(4-propionylpiperazino)phenyl]-3-nitro-benzamide Formula: C20H21ClN4O4 MolecularWeight: 416.85814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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