2-ethylbutyl (E)-3-[3-[(4-fluoranyl-2,6-dinitro-phenyl)methoxy]-4-methoxy-phenyl]prop-2-enoate

Systemtic Name: 2-ethylbutyl (E)-3-[3-[(4-fluoranyl-2,6-dinitro-phenyl)methoxy]-4-methoxy-phenyl]prop-2-enoate Openeye Name: 2-ethylbutyl (E)-3-[3-[(4-fluoro-2,6-dinitro-phenyl)methoxy]-4-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[3-[(4-fluoro-2,6-dinitrophenyl)methoxy]-4-methoxyphenyl]-2-propenoic acid 2-ethylbutyl ester IUPAC Name: 2-ethylbutyl (E)-3-[3-[(4-fluoro-2,6-dinitrophenyl)methoxy]-4-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[3-(4-fluoro-2,6-dinitro-benzyl)oxy-4-methoxy-phenyl]acrylic acid 2-ethylbutyl ester Formula: C23H25FN2O8 MolecularWeight: 476.451603

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)COC(=O)C=CC1=CC(=C(C=C1)OC)OCC2=C(C=C(C=C2[N+](=O)[O-])F)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)COC(=O)/C=C/C1=CC(=C(C=C1)OC)OCC2=C(C=C(C=C2[N+](=O)[O-])F)[N+](=O)[O-]

InChI

InChI=1S/C23H25FN2O8/c1-4-15(5-2)13-34-23(27)9-7-16-6-8-21(32-3)22(10-16)33-14-18-19(25(28)29)11-17(24)12-20(18)26(30)31/h6-12,15H,4-5,13-14H2,1-3H3/b9-7+