2-[(1E,3E)-4-(5-nitrofuran-2-yl)buta-1,3-dienyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[(1E,3E)-4-(5-nitrofuran-2-yl)buta-1,3-dienyl]quinoline-4-carboxylic acid Openeye Name: 2-[(1E,3E)-4-(5-nitro-2-furyl)buta-1,3-dienyl]quinoline-4-carboxylic acid CAS Name: 2-[(1E,3E)-4-(5-nitro-2-furanyl)buta-1,3-dienyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[(1E,3E)-4-(5-nitrofuran-2-yl)buta-1,3-dienyl]quinoline-4-carboxylic acid Traditional Name: 2-[(1E,3E)-4-(5-nitro-2-furyl)buta-1,3-dienyl]cinchoninic acid Formula: C18H12N2O5 MolecularWeight: 336.29828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C=CC=CC3=CC=C(O3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)/C=C/C=C/C3=CC=C(O3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H12N2O5/c21-18(22)15-11-12(19-16-8-4-3-7-14(15)16)5-1-2-6-13-9-10-17(25-13)20(23)24/h1-11H,(H,21,22)/b5-1+,6-2+