ethyl 4-[(5-chloranyl-2-nitro-phenyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-[(5-chloranyl-2-nitro-phenyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-(5-chloro-2-nitro-anilino)-7-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(5-chloro-2-nitroanilino)-7-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-chloro-2-nitroanilino)-7-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(5-chloro-2-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=CC(=C3)Cl)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

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

InChI

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