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

Systemtic Name: ethyl (E)-3-[2-nitro-5-piperidin-1-yl-4-(trifluoromethyl)phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[2-nitro-5-(1-piperidyl)-4-(trifluoromethyl)phenyl]prop-2-enoate CAS Name: (E)-3-[2-nitro-5-(1-piperidinyl)-4-(trifluoromethyl)phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-nitro-5-piperidin-1-yl-4-(trifluoromethyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[2-nitro-5-piperidino-4-(trifluoromethyl)phenyl]acrylic acid ethyl ester Formula: C17H19F3N2O4 MolecularWeight: 372.33897

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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)N2CCCCC2

Isomeric SMILES

CCOC(=O)/C=C/C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)N2CCCCC2

InChI

InChI=1S/C17H19F3N2O4/c1-2-26-16(23)7-6-12-10-15(21-8-4-3-5-9-21)13(17(18,19)20)11-14(12)22(24)25/h6-7,10-11H,2-5,8-9H2,1H3/b7-6+