ethyl (Z)-2-cyano-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-enoate

Systemtic Name: ethyl (Z)-2-cyano-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-enoate Openeye Name: ethyl (Z)-2-cyano-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-enoate CAS Name: (Z)-2-cyano-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-cyano-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-enoate Traditional Name: (Z)-2-cyano-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]acrylic acid ethyl ester Formula: C17H17F3N4O4 MolecularWeight: 398.33649

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CN1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C#N

Isomeric SMILES

CCOC(=O)/C(=C\N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])/C#N

InChI

InChI=1S/C17H17F3N4O4/c1-2-28-16(25)12(10-21)11-22-5-7-23(8-6-22)14-4-3-13(17(18,19)20)9-15(14)24(26)27/h3-4,9,11H,2,5-8H2,1H3/b12-11-