ethyl 1-methyl-6-nitro-4-oxidanylidene-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-3-carboxylate

Systemtic Name: ethyl 1-methyl-6-nitro-4-oxidanylidene-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-3-carboxylate Openeye Name: ethyl 1-methyl-6-nitro-4-oxo-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-3-carboxylate CAS Name: 1-methyl-6-nitro-4-oxo-7-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-6-nitro-4-oxo-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-3-carboxylate Traditional Name: 4-keto-1-methyl-6-nitro-7-[4-[3-(trifluoromethyl)phenyl]piperazino]quinoline-3-carboxylic acid ethyl ester Formula: C24H23F3N4O5 MolecularWeight: 504.45843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)C

InChI

InChI=1S/C24H23F3N4O5/c1-3-36-23(33)18-14-28(2)19-13-20(21(31(34)35)12-17(19)22(18)32)30-9-7-29(8-10-30)16-6-4-5-15(11-16)24(25,26)27/h4-6,11-14H,3,7-10H2,1-2H3