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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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