[2-[4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-keto-2-[4-(4-nitrophenoxy)phenyl]ethyl] ester Formula: C28H18N2O6S MolecularWeight: 510.51732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H18N2O6S/c31-26(18-7-11-20(12-8-18)36-21-13-9-19(10-14-21)30(33)34)17-35-28(32)23-16-25(27-6-3-15-37-27)29-24-5-2-1-4-22(23)24/h1-16H,17H2