1-tert-butyl-7-(4-methyl-3-phenyl-piperazin-1-yl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-tert-butyl-7-(4-methyl-3-phenyl-piperazin-1-yl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-7-(4-methyl-3-phenyl-piperazin-1-yl)-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-7-(4-methyl-3-phenyl-1-piperazinyl)-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-7-(4-methyl-3-phenylpiperazin-1-yl)-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-4-keto-7-(4-methyl-3-phenyl-piperazino)-6-nitro-quinoline-3-carboxylic acid Formula: C25H28N4O5 MolecularWeight: 464.51362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(C(C3)C4=CC=CC=C4)C)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(C(C3)C4=CC=CC=C4)C)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C25H28N4O5/c1-25(2,3)28-14-18(24(31)32)23(30)17-12-21(29(33)34)20(13-19(17)28)27-11-10-26(4)22(15-27)16-8-6-5-7-9-16/h5-9,12-14,22H,10-11,15H2,1-4H3,(H,31,32)