[2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-(2-fluoro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C21H18FN3O5 MolecularWeight: 411.383123

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F

InChI

InChI=1S/C21H18FN3O5/c1-3-16-12(2)20(14-6-4-5-7-17(14)23-16)21(27)30-11-19(26)24-18-10-13(25(28)29)8-9-15(18)22/h4-10H,3,11H2,1-2H3,(H,24,26)