2-ethoxy-6-[4-(hydroxymethyl)imidazol-1-yl]-7-nitro-quinoline-3-carboxylic acid

Systemtic Name: 2-ethoxy-6-[4-(hydroxymethyl)imidazol-1-yl]-7-nitro-quinoline-3-carboxylic acid Openeye Name: 2-ethoxy-6-[4-(hydroxymethyl)imidazol-1-yl]-7-nitro-quinoline-3-carboxylic acid CAS Name: 2-ethoxy-6-[4-(hydroxymethyl)-1-imidazolyl]-7-nitro-3-quinolinecarboxylic acid IUPAC Name: 2-ethoxy-6-[4-(hydroxymethyl)imidazol-1-yl]-7-nitroquinoline-3-carboxylic acid Traditional Name: 2-ethoxy-6-(4-methylolimidazol-1-yl)-7-nitro-quinoline-3-carboxylic acid Formula: C16H14N4O6 MolecularWeight: 358.30556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C=C(C(=CC2=N1)[N+](=O)[O-])N3C=C(N=C3)CO)C(=O)O

Isomeric SMILES

CCOC1=C(C=C2C=C(C(=CC2=N1)[N+](=O)[O-])N3C=C(N=C3)CO)C(=O)O

InChI

InChI=1S/C16H14N4O6/c1-2-26-15-11(16(22)23)3-9-4-13(19-6-10(7-21)17-8-19)14(20(24)25)5-12(9)18-15/h3-6,8,21H,2,7H2,1H3,(H,22,23)