N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]ethylideneamino]-3-nitro-benzamide

Systemtic Name: N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]ethylideneamino]-3-nitro-benzamide Openeye Name: N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]ethylideneamino]-3-nitro-benzamide CAS Name: N-[(Z)-1-[4-(4-ethyl-1-piperazin-4-iumyl)-3-fluorophenyl]ethylideneamino]-3-nitrobenzamide IUPAC Name: N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]-3-nitrobenzamide Traditional Name: N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]ethylideneamino]-3-nitro-benzamide Formula: C21H25FN5O3+ MolecularWeight: 414.453303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)/C(=N\NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])/C)F

InChI

InChI=1S/C21H24FN5O3/c1-3-25-9-11-26(12-10-25)20-8-7-16(14-19(20)22)15(2)23-24-21(28)17-5-4-6-18(13-17)27(29)30/h4-8,13-14H,3,9-12H2,1-2H3,(H,24,28)/p+1/b23-15-