2-[[2,3,4-tris(fluoranyl)phenyl]amino]propyl 4-nitrobenzoate

Systemtic Name: 2-[[2,3,4-tris(fluoranyl)phenyl]amino]propyl 4-nitrobenzoate Openeye Name: 2-(2,3,4-trifluoroanilino)propyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-(2,3,4-trifluoroanilino)propyl ester IUPAC Name: 2-(2,3,4-trifluoroanilino)propyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-(2,3,4-trifluoroanilino)propyl ester Formula: C16H13F3N2O4 MolecularWeight: 354.28063

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])NC2=C(C(=C(C=C2)F)F)F

Isomeric SMILES

CC(COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])NC2=C(C(=C(C=C2)F)F)F

InChI

InChI=1S/C16H13F3N2O4/c1-9(20-13-7-6-12(17)14(18)15(13)19)8-25-16(22)10-2-4-11(5-3-10)21(23)24/h2-7,9,20H,8H2,1H3