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

Systemtic Name: N-[3-chloranyl-4-(4-propanoylpiperazin-1-yl)phenyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[3-chloro-4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[3-chloro-4-(4-propionylpiperazino)phenyl]-4-methoxy-3-nitro-benzamide Formula: C21H23ClN4O5 MolecularWeight: 446.88412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O5/c1-3-20(27)25-10-8-24(9-11-25)17-6-5-15(13-16(17)22)23-21(28)14-4-7-19(31-2)18(12-14)26(29)30/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,28)