[(E)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino] 5-nitrothiophene-3-carboxylate

Systemtic Name: [(E)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino] 5-nitrothiophene-3-carboxylate Openeye Name: [(E)-[3,5-bis(trifluoromethyl)phenyl]methyleneamino] 5-nitrothiophene-3-carboxylate CAS Name: 5-nitro-3-thiophenecarboxylic acid [(E)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino] ester IUPAC Name: [(E)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino] 5-nitrothiophene-3-carboxylate Traditional Name: 5-nitrothiophene-3-carboxylic acid [(E)-[3,5-bis(trifluoromethyl)benzylidene]amino] ester Formula: C14H6F6N2O4S MolecularWeight: 412.263859

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C=NOC(=O)C2=CSC(=C2)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)/C=N/OC(=O)C2=CSC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H6F6N2O4S/c15-13(16,17)9-1-7(2-10(4-9)14(18,19)20)5-21-26-12(23)8-3-11(22(24)25)27-6-8/h1-6H/b21-5+