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

Systemtic Name: 2-(6-nitro-4-phenyl-2-thiophen-2-yl-quinolin-3-yl)ethanoic acid Openeye Name: 2-[6-nitro-4-phenyl-2-(2-thienyl)-3-quinolyl]acetic acid CAS Name: 2-(6-nitro-4-phenyl-2-thiophen-2-yl-3-quinolinyl)acetic acid IUPAC Name: 2-(6-nitro-4-phenyl-2-thiophen-2-ylquinolin-3-yl)acetic acid Traditional Name: 2-[6-nitro-4-phenyl-2-(2-thienyl)-3-quinolyl]acetic acid Formula: C21H14N2O4S MolecularWeight: 390.41186

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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)