(3-nitrophenyl)methyl 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: (3-nitrophenyl)methyl 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: (3-nitrophenyl)methyl 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid (3-nitrobenzyl) ester Formula: C21H14N2O4S MolecularWeight: 390.41186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O4S/c24-21(27-13-14-5-3-6-15(11-14)23(25)26)17-12-19(20-9-4-10-28-20)22-18-8-2-1-7-16(17)18/h1-12H,13H2