sodium 4,6-bis(oxidanylidene)-9-(phenylmethyl)-10-propyl-pyrano[3,2-g]quinoline-2-carboxylate

Systemtic Name: sodium 4,6-bis(oxidanylidene)-9-(phenylmethyl)-10-propyl-pyrano[3,2-g]quinoline-2-carboxylate Openeye Name: sodium 9-benzyl-4,6-dioxo-10-propyl-pyrano[3,2-g]quinoline-2-carboxylate CAS Name: sodium 4,6-dioxo-9-(phenylmethyl)-10-propyl-2-pyrano[3,2-g]quinolinecarboxylate IUPAC Name: sodium 9-benzyl-4,6-dioxo-10-propylpyrano[3,2-g]quinoline-2-carboxylate Traditional Name: sodium 9-benzyl-4,6-diketo-10-propyl-pyrano[3,2-g]quinoline-2-carboxylate Formula: C23H18NNaO5 MolecularWeight: 411.38249

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)[O-])C(=O)C=CN2CC4=CC=CC=C4.[Na+]

Isomeric SMILES

CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)[O-])C(=O)C=CN2CC4=CC=CC=C4.[Na+]

InChI

InChI=1S/C23H19NO5.Na/c1-2-6-15-21-16(11-17-19(26)12-20(23(27)28)29-22(15)17)18(25)9-10-24(21)13-14-7-4-3-5-8-14;/h3-5,7-12H,2,6,13H2,1H3,(H,27,28);/q;+1/p-1