sodium 5-[[3-(2-azanyl-3-cyano-6-phenyl-pyridin-4-yl)phenyl]amino]-4-oxidanyl-5-oxidanylidene-pentanoate

Systemtic Name: sodium 5-[[3-(2-azanyl-3-cyano-6-phenyl-pyridin-4-yl)phenyl]amino]-4-oxidanyl-5-oxidanylidene-pentanoate Openeye Name: sodium 5-[3-(2-amino-3-cyano-6-phenyl-4-pyridyl)anilino]-4-hydroxy-5-oxo-pentanoate CAS Name: sodium 5-[3-(2-amino-3-cyano-6-phenyl-4-pyridinyl)anilino]-4-hydroxy-5-oxopentanoate IUPAC Name: sodium 5-[3-(2-amino-3-cyano-6-phenylpyridin-4-yl)anilino]-4-hydroxy-5-oxopentanoate Traditional Name: sodium 5-[3-(2-amino-3-cyano-6-phenyl-4-pyridyl)anilino]-4-hydroxy-5-keto-valerate Formula: C23H19N4NaO4 MolecularWeight: 438.41113

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC(=CC=C3)NC(=O)C(CCC(=O)[O-])O)C#N)N.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC(=CC=C3)NC(=O)C(CCC(=O)[O-])O)C#N)N.[Na+]

InChI

InChI=1S/C23H20N4O4.Na/c24-13-18-17(12-19(27-22(18)25)14-5-2-1-3-6-14)15-7-4-8-16(11-15)26-23(31)20(28)9-10-21(29)30;/h1-8,11-12,20,28H,9-10H2,(H2,25,27)(H,26,31)(H,29,30);/q;+1/p-1