[4-(4-ethanoylpiperazin-1-yl)phenyl] 4-methoxy-3-nitro-benzoate

Systemtic Name: [4-(4-ethanoylpiperazin-1-yl)phenyl] 4-methoxy-3-nitro-benzoate Openeye Name: [4-(4-acetylpiperazin-1-yl)phenyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [4-(4-acetyl-1-piperazinyl)phenyl] ester IUPAC Name: [4-(4-acetylpiperazin-1-yl)phenyl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [4-(4-acetylpiperazino)phenyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c1-14(24)21-9-11-22(12-10-21)16-4-6-17(7-5-16)29-20(25)15-3-8-19(28-2)18(13-15)23(26)27/h3-8,13H,9-12H2,1-2H3