(E)-1-[4-(4-ethylpiperazin-1-yl)-3-fluoranyl-phenyl]-3-(3-nitro-4-oxidanyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(4-ethylpiperazin-1-yl)-3-fluoranyl-phenyl]-3-(3-nitro-4-oxidanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(4-ethylpiperazin-1-yl)-3-fluoro-phenyl]-3-(4-hydroxy-3-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(4-ethyl-1-piperazinyl)-3-fluorophenyl]-3-(4-hydroxy-3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-3-(4-hydroxy-3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(4-ethylpiperazino)-3-fluoro-phenyl]-3-(4-hydroxy-3-nitro-phenyl)prop-2-en-1-one Formula: C21H22FN3O4 MolecularWeight: 399.415483

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)C=CC3=CC(=C(C=C3)O)[N+](=O)[O-])F

Isomeric SMILES

CCN1CCN(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+