6-imidazol-1-yl-7-nitro-2-oxidanylidene-1H-quinoline-3-carboxylic acid

Systemtic Name: 6-imidazol-1-yl-7-nitro-2-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 6-imidazol-1-yl-7-nitro-2-oxo-1H-quinoline-3-carboxylic acid CAS Name: 6-(1-imidazolyl)-7-nitro-2-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 6-imidazol-1-yl-7-nitro-2-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 6-imidazol-1-yl-2-keto-7-nitro-1H-quinoline-3-carboxylic acid Formula: C13H8N4O5 MolecularWeight: 300.22642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)C2=C(C=C3C(=C2)C=C(C(=O)N3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CN(C=N1)C2=C(C=C3C(=C2)C=C(C(=O)N3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H8N4O5/c18-12-8(13(19)20)3-7-4-10(16-2-1-14-6-16)11(17(21)22)5-9(7)15-12/h1-6H,(H,15,18)(H,19,20)