6-(imidazol-1-ylmethyl)-7-nitro-2-oxidanylidene-1H-quinoline-3-carboxylic acid

Systemtic Name: 6-(imidazol-1-ylmethyl)-7-nitro-2-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 6-(imidazol-1-ylmethyl)-7-nitro-2-oxo-1H-quinoline-3-carboxylic acid CAS Name: 6-(1-imidazolylmethyl)-7-nitro-2-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 6-(imidazol-1-ylmethyl)-7-nitro-2-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 6-(imidazol-1-ylmethyl)-2-keto-7-nitro-1H-quinoline-3-carboxylic acid Formula: C14H10N4O5 MolecularWeight: 314.253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CC2=C(C=C3C(=C2)C=C(C(=O)N3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CN(C=N1)CC2=C(C=C3C(=C2)C=C(C(=O)N3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H10N4O5/c19-13-10(14(20)21)4-8-3-9(6-17-2-1-15-7-17)12(18(22)23)5-11(8)16-13/h1-5,7H,6H2,(H,16,19)(H,20,21)