methyl 4-[2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinyl]-2,5-dihydrothiophene-3-carboxylate

Systemtic Name: methyl 4-[2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinyl]-2,5-dihydrothiophene-3-carboxylate Openeye Name: methyl 4-[2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazino]-2,5-dihydrothiophene-3-carboxylate CAS Name: 4-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazo]-2,5-dihydrothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinyl]-2,5-dihydrothiophene-3-carboxylate Traditional Name: 4-[N'-[2-nitro-4-(trifluoromethyl)phenyl]hydrazino]-2,5-dihydrothiophene-3-carboxylic acid methyl ester Formula: C13H12F3N3O4S MolecularWeight: 363.31229

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CSC1)NNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(CSC1)NNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H12F3N3O4S/c1-23-12(20)8-5-24-6-10(8)18-17-9-3-2-7(13(14,15)16)4-11(9)19(21)22/h2-4,17-18H,5-6H2,1H3