8-cyano-1-cyclopropyl-6-nitro-4-oxidanylidene-7-(3-phenylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 8-cyano-1-cyclopropyl-6-nitro-4-oxidanylidene-7-(3-phenylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 8-cyano-1-cyclopropyl-6-nitro-4-oxo-7-(3-phenylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 8-cyano-1-cyclopropyl-6-nitro-4-oxo-7-(3-phenyl-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 8-cyano-1-cyclopropyl-6-nitro-4-oxo-7-(3-phenylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 8-cyano-1-cyclopropyl-4-keto-6-nitro-7-(3-phenylpiperazino)quinoline-3-carboxylic acid Formula: C24H21N5O5 MolecularWeight: 459.45404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)C#N)N4CCNC(C4)C5=CC=CC=C5)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)C#N)N4CCNC(C4)C5=CC=CC=C5)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C24H21N5O5/c25-11-17-21-16(23(30)18(24(31)32)12-28(21)15-6-7-15)10-20(29(33)34)22(17)27-9-8-26-19(13-27)14-4-2-1-3-5-14/h1-5,10,12,15,19,26H,6-9,13H2,(H,31,32)