ethyl 7-[4-(2-fluorophenyl)piperazin-1-yl]-1-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 7-[4-(2-fluorophenyl)piperazin-1-yl]-1-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-[4-(2-fluorophenyl)piperazin-1-yl]-1-methyl-6-nitro-4-oxo-quinoline-3-carboxylate CAS Name: 7-[4-(2-fluorophenyl)-1-piperazinyl]-1-methyl-6-nitro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-[4-(2-fluorophenyl)piperazin-1-yl]-1-methyl-6-nitro-4-oxoquinoline-3-carboxylate Traditional Name: 7-[4-(2-fluorophenyl)piperazino]-4-keto-1-methyl-6-nitro-quinoline-3-carboxylic acid ethyl ester Formula: C23H23FN4O5 MolecularWeight: 454.450923

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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=C4F)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4F)C

InChI

InChI=1S/C23H23FN4O5/c1-3-33-23(30)16-14-25(2)19-13-20(21(28(31)32)12-15(19)22(16)29)27-10-8-26(9-11-27)18-7-5-4-6-17(18)24/h4-7,12-14H,3,8-11H2,1-2H3