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

Systemtic Name: N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-(2-nitrophenoxy)ethanamide Openeye Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-(2-nitrophenoxy)acetamide CAS Name: N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-2-(2-nitrophenoxy)acetamide IUPAC Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-(2-nitrophenoxy)acetamide Traditional Name: N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]-2-(2-nitrophenoxy)acetamide Formula: C23H27ClN4O5 MolecularWeight: 474.93728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O5/c1-16(2)13-23(30)27-11-9-26(10-12-27)19-8-7-17(14-18(19)24)25-22(29)15-33-21-6-4-3-5-20(21)28(31)32/h3-8,14,16H,9-13,15H2,1-2H3,(H,25,29)