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

Systemtic Name: ethyl 1-tert-butyl-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-tert-butyl-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxo-quinoline-3-carboxylate CAS Name: 1-tert-butyl-7-(4-methyl-1-piperazinyl)-6-nitro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-tert-butyl-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxoquinoline-3-carboxylate Traditional Name: 1-tert-butyl-4-keto-7-(4-methylpiperazino)-6-nitro-quinoline-3-carboxylic acid ethyl ester Formula: C21H28N4O5 MolecularWeight: 416.47082

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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)C)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O5/c1-6-30-20(27)15-13-24(21(2,3)4)16-12-17(23-9-7-22(5)8-10-23)18(25(28)29)11-14(16)19(15)26/h11-13H,6-10H2,1-5H3