[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-(5-ethylthiophen-2-yl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-(5-ethylthiophen-2-yl)-8-methyl-quinoline-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 2-(5-ethyl-2-thienyl)-8-methyl-quinoline-4-carboxylate CAS Name: 2-(5-ethyl-2-thiophenyl)-8-methyl-4-quinolinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 2-(5-ethylthiophen-2-yl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(5-ethyl-2-thienyl)-8-methyl-cinchoninic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C25H20N2O5S MolecularWeight: 460.5017

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(S1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H20N2O5S/c1-3-18-10-11-23(33-18)21-13-20(19-9-4-6-15(2)24(19)26-21)25(29)32-14-22(28)16-7-5-8-17(12-16)27(30)31/h4-13H,3,14H2,1-2H3