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

Systemtic Name: sodium (4E)-7-chloranyl-4-(2-oxidanylidene-1-phenyl-pyrrolidin-3-ylidene)-2,3-dihydro-1H-quinoline-2-carboxylate Openeye Name: sodium (4E)-7-chloro-4-(2-oxo-1-phenyl-pyrrolidin-3-ylidene)-2,3-dihydro-1H-quinoline-2-carboxylate CAS Name: sodium (4E)-7-chloro-4-(2-oxo-1-phenyl-3-pyrrolidinylidene)-2,3-dihydro-1H-quinoline-2-carboxylate IUPAC Name: sodium (4E)-7-chloro-4-(2-oxo-1-phenylpyrrolidin-3-ylidene)-2,3-dihydro-1H-quinoline-2-carboxylate Traditional Name: sodium (4E)-7-chloro-4-(2-keto-1-phenyl-pyrrolidin-3-ylidene)-2,3-dihydro-1H-quinoline-2-carboxylate Formula: C20H16ClN2NaO3 MolecularWeight: 390.79541

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1=C2CC(NC3=C2C=CC(=C3)Cl)C(=O)[O-])C4=CC=CC=C4.[Na+]

Isomeric SMILES

C\1CN(C(=O)/C1=C/2\CC(NC3=C2C=CC(=C3)Cl)C(=O)[O-])C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C20H17ClN2O3.Na/c21-12-6-7-14-16(11-18(20(25)26)22-17(14)10-12)15-8-9-23(19(15)24)13-4-2-1-3-5-13;/h1-7,10,18,22H,8-9,11H2,(H,25,26);/q;+1/p-1/b16-15+;