sodium 6-cyano-4-[3-fluoranyl-4-[(4-fluorophenyl)carbamoylamino]phenoxy]quinolin-7-olate

Systemtic Name: sodium 6-cyano-4-[3-fluoranyl-4-[(4-fluorophenyl)carbamoylamino]phenoxy]quinolin-7-olate Openeye Name: sodium 6-cyano-4-[3-fluoro-4-[(4-fluorophenyl)carbamoylamino]phenoxy]quinolin-7-olate CAS Name: sodium 6-cyano-4-[3-fluoro-4-[[(4-fluoroanilino)-oxomethyl]amino]phenoxy]-7-quinolinolate IUPAC Name: sodium 6-cyano-4-[3-fluoro-4-[(4-fluorophenyl)carbamoylamino]phenoxy]quinolin-7-olate Traditional Name: sodium 6-cyano-4-[3-fluoro-4-[(4-fluorophenyl)carbamoylamino]phenoxy]quinolin-7-olate Formula: C23H13F2N4NaO3 MolecularWeight: 454.360896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)[O-])C#N)F)F.[Na+]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)[O-])C#N)F)F.[Na+]

InChI

InChI=1S/C23H14F2N4O3.Na/c24-14-1-3-15(4-2-14)28-23(31)29-19-6-5-16(10-18(19)25)32-22-7-8-27-20-11-21(30)13(12-26)9-17(20)22;/h1-11,30H,(H2,28,29,31);/q;+1/p-1