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

Systemtic Name: ethyl 4-[(2-chloranyl-4-nitro-phenyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-(2-chloro-4-nitro-anilino)-7-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(2-chloro-4-nitroanilino)-7-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chloro-4-nitroanilino)-7-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(2-chloro-4-nitro-anilino)-7-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C19H13ClF3N3O4 MolecularWeight: 439.77243

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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-])Cl)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C19H13ClF3N3O4/c1-2-30-18(27)13-9-24-16-7-10(19(21,22)23)3-5-12(16)17(13)25-15-6-4-11(26(28)29)8-14(15)20/h3-9H,2H2,1H3,(H,24,25)