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

Systemtic Name: N-[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-3-methyl-4-nitro-benzamide CAS Name: N-[5-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[5-chloro-2-(4-propionylpiperazino)phenyl]-3-methyl-4-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)Cl)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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