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

Systemtic Name: 2-bromanyl-6-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-bromo-6-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-bromo-6-[[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-bromo-6-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-bromo-6-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-4-nitro-phenolate Formula: C19H21BrN4O3 MolecularWeight: 433.29904

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)N=CC3=CC(=CC(=C3[O-])Br)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)N=CC3=CC(=CC(=C3[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C19H21BrN4O3/c1-2-22-7-9-23(10-8-22)16-5-3-15(4-6-16)21-13-14-11-17(24(26)27)12-18(20)19(14)25/h3-6,11-13,25H,2,7-10H2,1H3