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

Systemtic Name: N-[3-chloranyl-4-(4-ethanoylpiperazin-1-yl)phenyl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[4-(4-acetylpiperazin-1-yl)-3-chloro-phenyl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[4-(4-acetyl-1-piperazinyl)-3-chlorophenyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[4-(4-acetylpiperazino)-3-chloro-phenyl]-2-(4-nitrophenoxy)acetamide Formula: C20H21ClN4O5 MolecularWeight: 432.85754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O5/c1-14(26)23-8-10-24(11-9-23)19-7-2-15(12-18(19)21)22-20(27)13-30-17-5-3-16(4-6-17)25(28)29/h2-7,12H,8-11,13H2,1H3,(H,22,27)