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

Systemtic Name: N-[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]-3-nitro-benzamide Openeye Name: N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-3-nitro-benzamide CAS Name: N-[5-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-3-nitrobenzamide IUPAC Name: N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-3-nitrobenzamide Traditional Name: N-[5-chloro-2-(4-propionylpiperazino)phenyl]-3-nitro-benzamide Formula: C20H21ClN4O4 MolecularWeight: 416.85814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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