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

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

Isomeric SMILES

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

InChI

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