2-(6-nitro-4-phenyl-2-thiophen-2-yl-quinolin-3-yl)ethanoate

Systemtic Name: 2-(6-nitro-4-phenyl-2-thiophen-2-yl-quinolin-3-yl)ethanoate Openeye Name: 2-[6-nitro-4-phenyl-2-(2-thienyl)-3-quinolyl]acetate CAS Name: 2-(6-nitro-4-phenyl-2-thiophen-2-yl-3-quinolinyl)acetate IUPAC Name: 2-(6-nitro-4-phenyl-2-thiophen-2-ylquinolin-3-yl)acetate Traditional Name: 2-[6-nitro-4-phenyl-2-(2-thienyl)-3-quinolyl]acetate Formula: C21H13N2O4S- MolecularWeight: 389.40392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=C2CC(=O)[O-])C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=C2CC(=O)[O-])C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O4S/c24-19(25)12-16-20(13-5-2-1-3-6-13)15-11-14(23(26)27)8-9-17(15)22-21(16)18-7-4-10-28-18/h1-11H,12H2,(H,24,25)/p-1