N-[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(2-nitrophenoxy)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-])Cl

InChI

InChI=1S/C22H25ClN4O5/c1-15(2)22(29)26-11-9-25(10-12-26)18-8-7-16(13-17(18)23)24-21(28)14-32-20-6-4-3-5-19(20)27(30)31/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,28)