4-[(3-nitrophenyl)amino]-8-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: 4-[(3-nitrophenyl)amino]-8-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: 4-(3-nitroanilino)-8-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(3-nitroanilino)-8-(trifluoromethyl)-3-quinolinecarboxylate IUPAC Name: 4-(3-nitroanilino)-8-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(3-nitroanilino)-8-(trifluoromethyl)quinoline-3-carboxylate Formula: C17H9F3N3O4- MolecularWeight: 376.26627

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC2=C3C=CC=C(C3=NC=C2C(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC2=C3C=CC=C(C3=NC=C2C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C17H10F3N3O4/c18-17(19,20)13-6-2-5-11-14(12(16(24)25)8-21-15(11)13)22-9-3-1-4-10(7-9)23(26)27/h1-8H,(H,21,22)(H,24,25)/p-1