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

Systemtic Name: 2-[[4-(4-butanoylpiperazin-1-yl)phenyl]iminomethyl]-6-nitro-phenolate Openeye Name: 2-[[4-(4-butanoylpiperazin-1-yl)phenyl]iminomethyl]-6-nitro-phenolate CAS Name: 2-nitro-6-[[4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]iminomethyl]phenolate IUPAC Name: 2-[[4-(4-butanoylpiperazin-1-yl)phenyl]iminomethyl]-6-nitrophenolate Traditional Name: 2-[[4-(4-butyrylpiperazino)phenyl]iminomethyl]-6-nitro-phenolate Formula: C21H23N4O4- MolecularWeight: 395.43172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c1-2-4-20(26)24-13-11-23(12-14-24)18-9-7-17(8-10-18)22-15-16-5-3-6-19(21(16)27)25(28)29/h3,5-10,15,27H,2,4,11-14H2,1H3/p-1