ethyl 4-(3-methyl-4-nitro-phenoxy)-2,6-bis(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: ethyl 4-(3-methyl-4-nitro-phenoxy)-2,6-bis(trifluoromethyl)pyridine-3-carboxylate Openeye Name: ethyl 4-(3-methyl-4-nitro-phenoxy)-2,6-bis(trifluoromethyl)pyridine-3-carboxylate CAS Name: 4-(3-methyl-4-nitrophenoxy)-2,6-bis(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-methyl-4-nitrophenoxy)-2,6-bis(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 4-(3-methyl-4-nitro-phenoxy)-2,6-bis(trifluoromethyl)nicotinic acid ethyl ester Formula: C17H12F6N2O5 MolecularWeight: 438.277999

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C=C1OC2=CC(=C(C=C2)[N+](=O)[O-])C)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(C=C1OC2=CC(=C(C=C2)[N+](=O)[O-])C)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H12F6N2O5/c1-3-29-15(26)13-11(30-9-4-5-10(25(27)28)8(2)6-9)7-12(16(18,19)20)24-14(13)17(21,22)23/h4-7H,3H2,1-2H3