4-[(E)-3-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate

Systemtic Name: 4-[(E)-3-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-3-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]-3-oxo-prop-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-3-[4-(4-ethyl-1-piperazin-4-iumyl)-3-fluorophenyl]-3-oxoprop-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-3-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]-3-oxoprop-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-3-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]-3-keto-prop-1-enyl]-2-nitro-phenolate Formula: C21H22FN3O4 MolecularWeight: 399.415483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3O4/c1-2-23-9-11-24(12-10-23)18-6-5-16(14-17(18)22)20(26)7-3-15-4-8-21(27)19(13-15)25(28)29/h3-8,13-14,27H,2,9-12H2,1H3/b7-3+