ethyl 1-tert-butyl-6-nitro-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate

Systemtic Name: ethyl 1-tert-butyl-6-nitro-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate Openeye Name: ethyl 1-tert-butyl-6-nitro-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylate CAS Name: 1-tert-butyl-6-nitro-4-oxo-7-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-tert-butyl-6-nitro-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate Traditional Name: 1-tert-butyl-4-keto-6-nitro-7-[4-(2-pyridyl)piperazino]quinoline-3-carboxylic acid ethyl ester Formula: C25H29N5O5 MolecularWeight: 479.52826

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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=N4)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4)C(C)(C)C

InChI

InChI=1S/C25H29N5O5/c1-5-35-24(32)18-16-29(25(2,3)4)19-15-20(21(30(33)34)14-17(19)23(18)31)27-10-12-28(13-11-27)22-8-6-7-9-26-22/h6-9,14-16H,5,10-13H2,1-4H3