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

Systemtic Name: 2-bromanyl-6-[[4-(4-butanoylpiperazin-1-yl)phenyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-bromo-6-[[4-(4-butanoylpiperazin-1-yl)phenyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-bromo-4-nitro-6-[[4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]iminomethyl]phenolate IUPAC Name: 2-bromo-6-[[4-(4-butanoylpiperazin-1-yl)phenyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-bromo-6-[[4-(4-butyrylpiperazino)phenyl]iminomethyl]-4-nitro-phenolate Formula: C21H22BrN4O4- MolecularWeight: 474.32778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O4/c1-2-3-20(27)25-10-8-24(9-11-25)17-6-4-16(5-7-17)23-14-15-12-18(26(29)30)13-19(22)21(15)28/h4-7,12-14,28H,2-3,8-11H2,1H3/p-1