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

Systemtic Name: ethyl 2-ethoxy-6-[4-(hydroxymethyl)imidazol-1-yl]-7-nitro-quinoline-3-carboxylate Openeye Name: ethyl 2-ethoxy-6-[4-(hydroxymethyl)imidazol-1-yl]-7-nitro-quinoline-3-carboxylate CAS Name: 2-ethoxy-6-[4-(hydroxymethyl)-1-imidazolyl]-7-nitro-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-ethoxy-6-[4-(hydroxymethyl)imidazol-1-yl]-7-nitroquinoline-3-carboxylate Traditional Name: 2-ethoxy-6-(4-methylolimidazol-1-yl)-7-nitro-quinoline-3-carboxylic acid ethyl ester Formula: C18H18N4O6 MolecularWeight: 386.35872

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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O6/c1-3-27-17-13(18(24)28-4-2)5-11-6-15(21-8-12(9-23)19-10-21)16(22(25)26)7-14(11)20-17/h5-8,10,23H,3-4,9H2,1-2H3