sodium 2-azanyl-3-cyano-quinoline-4-carboxylate

Systemtic Name: sodium 2-azanyl-3-cyano-quinoline-4-carboxylate Openeye Name: sodium 2-amino-3-cyano-quinoline-4-carboxylate CAS Name: sodium 2-amino-3-cyano-4-quinolinecarboxylate IUPAC Name: sodium 2-amino-3-cyanoquinoline-4-carboxylate Traditional Name: sodium 2-amino-3-cyano-cinchoninate Formula: C11H6N3NaO2 MolecularWeight: 235.17401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H7N3O2.Na/c12-5-7-9(11(15)16)6-3-1-2-4-8(6)14-10(7)13;/h1-4H,(H2,13,14)(H,15,16);/q;+1/p-1