disodium 4-oxidanylidene-10-propyl-6-pyrrol-1-yl-pyrano[3,2-g]quinoline-2,8-dicarboxylate

Systemtic Name: disodium 4-oxidanylidene-10-propyl-6-pyrrol-1-yl-pyrano[3,2-g]quinoline-2,8-dicarboxylate Openeye Name: disodium 4-oxo-10-propyl-6-pyrrol-1-yl-pyrano[3,2-g]quinoline-2,8-dicarboxylate CAS Name: disodium 4-oxo-10-propyl-6-(1-pyrrolyl)pyrano[3,2-g]quinoline-2,8-dicarboxylate IUPAC Name: disodium 4-oxo-10-propyl-6-pyrrol-1-ylpyrano[3,2-g]quinoline-2,8-dicarboxylate Traditional Name: disodium 4-keto-10-propyl-6-pyrrol-1-yl-pyrano[3,2-g]quinoline-2,8-dicarboxylate Formula: C21H14N2Na2O6 MolecularWeight: 436.3252

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)[O-])C(=CC(=N2)C(=O)[O-])N4C=CC=C4.[Na+].[Na+]

Isomeric SMILES

CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)[O-])C(=CC(=N2)C(=O)[O-])N4C=CC=C4.[Na+].[Na+]

InChI

InChI=1S/C21H16N2O6.2Na/c1-2-5-11-18-12(8-13-16(24)10-17(21(27)28)29-19(11)13)15(23-6-3-4-7-23)9-14(22-18)20(25)26;;/h3-4,6-10H,2,5H2,1H3,(H,25,26)(H,27,28);;/q;2*+1/p-2