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

Systemtic Name: ethyl 1-tert-butyl-6-nitro-4-oxidanylidene-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylate Openeye Name: ethyl 1-tert-butyl-6-nitro-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylate CAS Name: 1-tert-butyl-6-nitro-4-oxo-7-[4-(2-pyrimidinyl)-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-tert-butyl-6-nitro-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylate Traditional Name: 1-tert-butyl-4-keto-6-nitro-7-[4-(2-pyrimidyl)piperazino]quinoline-3-carboxylic acid ethyl ester Formula: C24H28N6O5 MolecularWeight: 480.51632

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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=NC=CC=N4)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H28N6O5/c1-5-35-22(32)17-15-29(24(2,3)4)18-14-19(20(30(33)34)13-16(18)21(17)31)27-9-11-28(12-10-27)23-25-7-6-8-26-23/h6-8,13-15H,5,9-12H2,1-4H3