2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl 2-oxidanylidenechromene-3-carboxylate

Systemtic Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl 2-oxidanylidenechromene-3-carboxylate Openeye Name: 2-[2-nitro-4-(trifluoromethyl)anilino]ethyl 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid 2-[2-nitro-4-(trifluoromethyl)anilino]ethyl ester IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)anilino]ethyl 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid 2-[2-nitro-4-(trifluoromethyl)anilino]ethyl ester Formula: C19H13F3N2O6 MolecularWeight: 422.31153

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H13F3N2O6/c20-19(21,22)12-5-6-14(15(10-12)24(27)28)23-7-8-29-17(25)13-9-11-3-1-2-4-16(11)30-18(13)26/h1-6,9-10,23H,7-8H2