[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C23H14N4O5S MolecularWeight: 458.44606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C23H14N4O5S/c24-12-14-10-15(27(30)31)7-8-18(14)26-22(28)13-32-23(29)17-11-20(21-6-3-9-33-21)25-19-5-2-1-4-16(17)19/h1-11H,13H2,(H,26,28)