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

Systemtic Name: 2-[[4-(4-butanoylpiperazin-1-yl)phenyl]iminomethyl]-4-methyl-6-nitro-phenolate Openeye Name: 2-[[4-(4-butanoylpiperazin-1-yl)phenyl]iminomethyl]-4-methyl-6-nitro-phenolate CAS Name: 4-methyl-2-nitro-6-[[4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]iminomethyl]phenolate IUPAC Name: 2-[[4-(4-butanoylpiperazin-1-yl)phenyl]iminomethyl]-4-methyl-6-nitrophenolate Traditional Name: 2-[[4-(4-butyrylpiperazino)phenyl]iminomethyl]-4-methyl-6-nitro-phenolate Formula: C22H25N4O4- MolecularWeight: 409.4583

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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-])[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4/c1-3-4-21(27)25-11-9-24(10-12-25)19-7-5-18(6-8-19)23-15-17-13-16(2)14-20(22(17)28)26(29)30/h5-8,13-15,28H,3-4,9-12H2,1-2H3/p-1