sodium 5-chloranyl-1-methyl-2-oxidanylidene-3-(2-phenylbutanoyl)quinolin-4-olate

Systemtic Name: sodium 5-chloranyl-1-methyl-2-oxidanylidene-3-(2-phenylbutanoyl)quinolin-4-olate Openeye Name: sodium 5-chloro-1-methyl-2-oxo-3-(2-phenylbutanoyl)quinolin-4-olate CAS Name: sodium 5-chloro-1-methyl-2-oxo-3-(1-oxo-2-phenylbutyl)-4-quinolinolate IUPAC Name: sodium 5-chloro-1-methyl-2-oxo-3-(2-phenylbutanoyl)quinolin-4-olate Traditional Name: sodium 5-chloro-2-keto-1-methyl-3-(2-phenylbutanoyl)quinolin-4-olate Formula: C20H17ClNNaO3 MolecularWeight: 377.79665

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)C2=C(C3=C(C=CC=C3Cl)N(C2=O)C)[O-].[Na+]

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)C2=C(C3=C(C=CC=C3Cl)N(C2=O)C)[O-].[Na+]

InChI

InChI=1S/C20H18ClNO3.Na/c1-3-13(12-8-5-4-6-9-12)18(23)17-19(24)16-14(21)10-7-11-15(16)22(2)20(17)25;/h4-11,13,24H,3H2,1-2H3;/q;+1/p-1