tert-butyl 4-[1-cyclopropyl-6-fluoranyl-3-(2-nitroethanoyl)-4-oxidanylidene-quinolin-7-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-cyclopropyl-6-fluoranyl-3-(2-nitroethanoyl)-4-oxidanylidene-quinolin-7-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-cyclopropyl-6-fluoro-3-(2-nitroacetyl)-4-oxo-7-quinolyl]piperazine-1-carboxylate CAS Name: 4-[1-cyclopropyl-6-fluoro-3-(2-nitro-1-oxoethyl)-4-oxo-7-quinolinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-cyclopropyl-6-fluoro-3-(2-nitroacetyl)-4-oxoquinolin-7-yl]piperazine-1-carboxylate Traditional Name: 4-[1-cyclopropyl-6-fluoro-4-keto-3-(2-nitroacetyl)-7-quinolyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H27FN4O6 MolecularWeight: 474.482083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)C[N+](=O)[O-])C4CC4)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)C[N+](=O)[O-])C4CC4)F

InChI

InChI=1S/C23H27FN4O6/c1-23(2,3)34-22(31)26-8-6-25(7-9-26)19-11-18-15(10-17(19)24)21(30)16(20(29)13-28(32)33)12-27(18)14-4-5-14/h10-12,14H,4-9,13H2,1-3H3