ethyl 4-[(4-methyl-2-nitro-phenyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-[(4-methyl-2-nitro-phenyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-(4-methyl-2-nitro-anilino)-7-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(4-methyl-2-nitroanilino)-7-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methyl-2-nitroanilino)-7-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(4-methyl-2-nitro-anilino)-7-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C20H16F3N3O4 MolecularWeight: 419.35395

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=C(C=CC2=C1NC3=C(C=C(C=C3)C)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C2C=C(C=CC2=C1NC3=C(C=C(C=C3)C)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C20H16F3N3O4/c1-3-30-19(27)14-10-24-16-9-12(20(21,22)23)5-6-13(16)18(14)25-15-7-4-11(2)8-17(15)26(28)29/h4-10H,3H2,1-2H3,(H,24,25)