1-[4-[4-(4-ethoxy-3-nitro-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(4-ethoxy-3-nitro-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(4-ethoxy-3-nitro-benzoyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(4-ethoxy-3-nitrophenyl)-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(4-ethoxy-3-nitrobenzoyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(4-ethoxy-3-nitro-benzoyl)piperazino]phenyl]ethanone Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-3-29-20-9-6-17(14-19(20)24(27)28)21(26)23-12-10-22(11-13-23)18-7-4-16(5-8-18)15(2)25/h4-9,14H,3,10-13H2,1-2H3