1-(2,3-dimethylphenyl)-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-(2,3-dimethylphenyl)-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(2,3-dimethylphenyl)-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(2,3-dimethylphenyl)-7-(4-methyl-1-piperazinyl)-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(2,3-dimethylphenyl)-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(2,3-dimethylphenyl)-4-keto-7-(4-methylpiperazino)-6-nitro-quinoline-3-carboxylic acid Formula: C23H24N4O5 MolecularWeight: 436.46046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C)[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C)[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C23H24N4O5/c1-14-5-4-6-18(15(14)2)26-13-17(23(29)30)22(28)16-11-21(27(31)32)20(12-19(16)26)25-9-7-24(3)8-10-25/h4-6,11-13H,7-10H2,1-3H3,(H,29,30)