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

Systemtic Name: ethyl 4-[(2-methyl-4-nitro-phenyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-(2-methyl-4-nitro-anilino)-7-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(2-methyl-4-nitroanilino)-7-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methyl-4-nitroanilino)-7-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(2-methyl-4-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)[N+](=O)[O-])C)C(F)(F)F

Isomeric SMILES

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

InChI

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