2-[[4-(4-butanoylpiperazin-1-yl)phenyl]iminomethyl]-6-ethoxy-4-nitro-phenolate

Systemtic Name: 2-[[4-(4-butanoylpiperazin-1-yl)phenyl]iminomethyl]-6-ethoxy-4-nitro-phenolate Openeye Name: 2-[[4-(4-butanoylpiperazin-1-yl)phenyl]iminomethyl]-6-ethoxy-4-nitro-phenolate CAS Name: 2-ethoxy-4-nitro-6-[[4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]iminomethyl]phenolate IUPAC Name: 2-[[4-(4-butanoylpiperazin-1-yl)phenyl]iminomethyl]-6-ethoxy-4-nitrophenolate Traditional Name: 2-[[4-(4-butyrylpiperazino)phenyl]iminomethyl]-6-ethoxy-4-nitro-phenolate Formula: C23H27N4O5- MolecularWeight: 439.48428

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)N=CC3=CC(=CC(=C3[O-])OCC)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)N=CC3=CC(=CC(=C3[O-])OCC)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O5/c1-3-5-22(28)26-12-10-25(11-13-26)19-8-6-18(7-9-19)24-16-17-14-20(27(30)31)15-21(23(17)29)32-4-2/h6-9,14-16,29H,3-5,10-13H2,1-2H3/p-1