sodium 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxylate

Systemtic Name: sodium 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxylate Openeye Name: sodium 2-[(E)-2-(5-nitro-2-furyl)vinyl]quinoline-4-carboxylate CAS Name: sodium 2-[(E)-2-(5-nitro-2-furanyl)ethenyl]-4-quinolinecarboxylate IUPAC Name: sodium 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxylate Traditional Name: sodium 2-[(E)-2-(5-nitro-2-furyl)vinyl]cinchoninate Formula: C16H9N2NaO5 MolecularWeight: 332.24283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C=CC3=CC=C(O3)[N+](=O)[O-])C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)/C=C/C3=CC=C(O3)[N+](=O)[O-])C(=O)[O-].[Na+]

InChI

InChI=1S/C16H10N2O5.Na/c19-16(20)13-9-10(17-14-4-2-1-3-12(13)14)5-6-11-7-8-15(23-11)18(21)22;/h1-9H,(H,19,20);/q;+1/p-1/b6-5+;