sodium (4E)-7-chloranyl-4-(2-oxidanylidene-1-phenyl-piperidin-3-ylidene)-2,3-dihydro-1H-quinoline-2-carboxylate

Systemtic Name: sodium (4E)-7-chloranyl-4-(2-oxidanylidene-1-phenyl-piperidin-3-ylidene)-2,3-dihydro-1H-quinoline-2-carboxylate Openeye Name: sodium (4E)-7-chloro-4-(2-oxo-1-phenyl-3-piperidylidene)-2,3-dihydro-1H-quinoline-2-carboxylate CAS Name: sodium (4E)-7-chloro-4-(2-oxo-1-phenyl-3-piperidinylidene)-2,3-dihydro-1H-quinoline-2-carboxylate IUPAC Name: sodium (4E)-7-chloro-4-(2-oxo-1-phenylpiperidin-3-ylidene)-2,3-dihydro-1H-quinoline-2-carboxylate Traditional Name: sodium (4E)-7-chloro-4-(2-keto-1-phenyl-3-piperidylidene)-2,3-dihydro-1H-quinoline-2-carboxylate Formula: C21H18ClN2NaO3 MolecularWeight: 404.82199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C2CC(NC3=C2C=CC(=C3)Cl)C(=O)[O-])C(=O)N(C1)C4=CC=CC=C4.[Na+]

Isomeric SMILES

C1C/C(=C\2/CC(NC3=C2C=CC(=C3)Cl)C(=O)[O-])/C(=O)N(C1)C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C21H19ClN2O3.Na/c22-13-8-9-15-17(12-19(21(26)27)23-18(15)11-13)16-7-4-10-24(20(16)25)14-5-2-1-3-6-14;/h1-3,5-6,8-9,11,19,23H,4,7,10,12H2,(H,26,27);/q;+1/p-1/b17-16+;