methyl 3-methyl-5-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 3-methyl-5-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 3-methyl-5-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]furan-2-carboxylate CAS Name: 3-methyl-5-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-methyl-5-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]furan-2-carboxylate Traditional Name: 3-methyl-5-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methyl]furan-2-carboxylic acid methyl ester Formula: C19H20F3N3O5 MolecularWeight: 427.37441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)CN2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)CN2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H20F3N3O5/c1-12-9-14(30-17(12)18(26)29-2)11-23-5-7-24(8-6-23)15-4-3-13(19(20,21)22)10-16(15)25(27)28/h3-4,9-10H,5-8,11H2,1-2H3