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

Systemtic Name: N-[3-chloranyl-4-(4-propanoylpiperazin-1-yl)phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[3-chloro-4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[3-chloro-4-(4-propionylpiperazino)phenyl]-2-methyl-3-nitro-benzamide Formula: C21H23ClN4O4 MolecularWeight: 430.88472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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