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

Systemtic Name: ethyl 1-tert-butyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-6-nitro-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-tert-butyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-6-nitro-4-oxo-quinoline-3-carboxylate CAS Name: 1-tert-butyl-7-[4-(4-fluorophenyl)-1-piperazinyl]-6-nitro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-tert-butyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-6-nitro-4-oxoquinoline-3-carboxylate Traditional Name: 1-tert-butyl-7-[4-(4-fluorophenyl)piperazino]-4-keto-6-nitro-quinoline-3-carboxylic acid ethyl ester Formula: C26H29FN4O5 MolecularWeight: 496.530663

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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=C(C=C4)F)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H29FN4O5/c1-5-36-25(33)20-16-30(26(2,3)4)21-15-22(23(31(34)35)14-19(21)24(20)32)29-12-10-28(11-13-29)18-8-6-17(27)7-9-18/h6-9,14-16H,5,10-13H2,1-4H3