N-[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[3-chloro-4-(4-isobutyrylpiperazino)phenyl]-4-methoxy-3-nitro-benzamide Formula: C22H25ClN4O5 MolecularWeight: 460.9107

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O5/c1-14(2)22(29)26-10-8-25(9-11-26)18-6-5-16(13-17(18)23)24-21(28)15-4-7-20(32-3)19(12-15)27(30)31/h4-7,12-14H,8-11H2,1-3H3,(H,24,28)