[1-(4-fluorophenyl)carbonyl-2,2,4-trimethyl-quinolin-6-yl] 4-nitrobenzoate

Systemtic Name: [1-(4-fluorophenyl)carbonyl-2,2,4-trimethyl-quinolin-6-yl] 4-nitrobenzoate Openeye Name: [1-(4-fluorobenzoyl)-2,2,4-trimethyl-6-quinolyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [1-[(4-fluorophenyl)-oxomethyl]-2,2,4-trimethyl-6-quinolinyl] ester IUPAC Name: [1-(4-fluorobenzoyl)-2,2,4-trimethylquinolin-6-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1-(4-fluorobenzoyl)-2,2,4-trimethyl-6-quinolyl] ester Formula: C26H21FN2O5 MolecularWeight: 460.453743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=C1C=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)F)(C)C

Isomeric SMILES

CC1=CC(N(C2=C1C=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)F)(C)C

InChI

InChI=1S/C26H21FN2O5/c1-16-15-26(2,3)28(24(30)17-4-8-19(27)9-5-17)23-13-12-21(14-22(16)23)34-25(31)18-6-10-20(11-7-18)29(32)33/h4-15H,1-3H3