2-(4-methyl-3-phenyl-piperazin-1-yl)-3-nitro-5-oxidanylidene-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxylic acid

Systemtic Name: 2-(4-methyl-3-phenyl-piperazin-1-yl)-3-nitro-5-oxidanylidene-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxylic acid Openeye Name: 2-(4-methyl-3-phenyl-piperazin-1-yl)-3-nitro-5-oxo-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxylic acid CAS Name: 2-(4-methyl-3-phenyl-1-piperazinyl)-3-nitro-5-oxo-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxylic acid IUPAC Name: 2-(4-methyl-3-phenylpiperazin-1-yl)-3-nitro-5-oxo-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxylic acid Traditional Name: 5-keto-2-(4-methyl-3-phenyl-piperazino)-3-nitro-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxylic acid Formula: C27H22N4O5S MolecularWeight: 514.55238

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1C2=CC=CC=C2)C3=C(C=C4C(=C3)N5C6=CC=CC=C6SC5=C(C4=O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1C2=CC=CC=C2)C3=C(C=C4C(=C3)N5C6=CC=CC=C6SC5=C(C4=O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C27H22N4O5S/c1-28-11-12-29(15-22(28)16-7-3-2-4-8-16)20-14-19-17(13-21(20)31(35)36)25(32)24(27(33)34)26-30(19)18-9-5-6-10-23(18)37-26/h2-10,13-14,22H,11-12,15H2,1H3,(H,33,34)