[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-propan-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-propan-2-ylquinoline-4-carboxylate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 2-isopropylquinoline-4-carboxylate CAS Name: 2-propan-2-yl-4-quinolinecarboxylic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 2-propan-2-ylquinoline-4-carboxylate Traditional Name: 2-isopropylcinchoninic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C21H18FN3O5 MolecularWeight: 411.383123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18FN3O5/c1-12(2)18-10-15(14-5-3-4-6-17(14)24-18)21(27)30-11-20(26)23-13-7-8-16(22)19(9-13)25(28)29/h3-10,12H,11H2,1-2H3,(H,23,26)