[2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate

Systemtic Name: [2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-keto-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C20H14F3N3O5 MolecularWeight: 433.33747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C20H14F3N3O5/c1-11-8-14(13-4-2-3-5-16(13)24-11)19(28)31-10-18(27)25-17-7-6-12(26(29)30)9-15(17)20(21,22)23/h2-9H,10H2,1H3,(H,25,27)