N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-3-pyrrol-1-yl-thiophene-2-carboxamide

Systemtic Name: N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-3-pyrrol-1-yl-thiophene-2-carboxamide Openeye Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-3-pyrrol-1-yl-thiophene-2-carboxamide CAS Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-3-(1-pyrrolyl)-2-thiophenecarboxamide IUPAC Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide Traditional Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-3-pyrrol-1-yl-thiophene-2-carboxamide Formula: C18H15F3N4O3S MolecularWeight: 424.39691

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=C(SC=C2)C(=O)NCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CN(C=C1)C2=C(SC=C2)C(=O)NCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H15F3N4O3S/c19-18(20,21)12-3-4-13(15(11-12)25(27)28)22-6-7-23-17(26)16-14(5-10-29-16)24-8-1-2-9-24/h1-5,8-11,22H,6-7H2,(H,23,26)