ethyl 4-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-3,5-dinitro-benzoate

Systemtic Name: ethyl 4-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-3,5-dinitro-benzoate Openeye Name: ethyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-3,5-dinitro-benzoate CAS Name: 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,5-dinitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-3,5-dinitrobenzoate Traditional Name: 4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-3,5-dinitro-benzoic acid ethyl ester Formula: C15H10ClF3N4O6 MolecularWeight: 434.71131

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])NC2=C(C=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])NC2=C(C=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H10ClF3N4O6/c1-2-29-14(24)7-3-10(22(25)26)12(11(4-7)23(27)28)21-13-9(16)5-8(6-20-13)15(17,18)19/h3-6H,2H2,1H3,(H,20,21)