ethyl (E)-3-[2-nitro-5-(4-oxidanylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[2-nitro-5-(4-oxidanylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[5-(4-hydroxy-1-piperidyl)-2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoate CAS Name: (E)-3-[5-(4-hydroxy-1-piperidinyl)-2-nitro-4-(trifluoromethyl)phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[5-(4-hydroxypiperidin-1-yl)-2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[5-(4-hydroxypiperidino)-2-nitro-4-(trifluoromethyl)phenyl]acrylic acid ethyl ester Formula: C17H19F3N2O5 MolecularWeight: 388.33837

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)N2CCC(CC2)O

Isomeric SMILES

CCOC(=O)/C=C/C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)N2CCC(CC2)O

InChI

InChI=1S/C17H19F3N2O5/c1-2-27-16(24)4-3-11-9-15(21-7-5-12(23)6-8-21)13(17(18,19)20)10-14(11)22(25)26/h3-4,9-10,12,23H,2,5-8H2,1H3/b4-3+