ethyl 3-[[4-(furan-2-ylcarbonylamino)-2-(trifluoromethyl)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[4-(furan-2-ylcarbonylamino)-2-(trifluoromethyl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-[[2-furanyl(oxo)methyl]amino]-2-(trifluoromethyl)anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(2-furoylamino)-2-(trifluoromethyl)phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C22H16F3N3O7 MolecularWeight: 491.37355

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3=CC=CO3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3=CC=CO3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H16F3N3O7/c1-2-34-21(31)13-8-12(9-15(10-13)28(32)33)19(29)27-17-6-5-14(11-16(17)22(23,24)25)26-20(30)18-4-3-7-35-18/h3-11H,2H2,1H3,(H,26,30)(H,27,29)