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

Systemtic Name: N-[3-chloranyl-4-(4-propanoylpiperazin-1-yl)phenyl]-2-(2-nitrophenoxy)ethanamide Openeye Name: N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-(2-nitrophenoxy)acetamide CAS Name: N-[3-chloro-4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-2-(2-nitrophenoxy)acetamide IUPAC Name: N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-(2-nitrophenoxy)acetamide Traditional Name: N-[3-chloro-4-(4-propionylpiperazino)phenyl]-2-(2-nitrophenoxy)acetamide Formula: C21H23ClN4O5 MolecularWeight: 446.88412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O5/c1-2-21(28)25-11-9-24(10-12-25)17-8-7-15(13-16(17)22)23-20(27)14-31-19-6-4-3-5-18(19)26(29)30/h3-8,13H,2,9-12,14H2,1H3,(H,23,27)