2,3-bis(chloranyl)-5,6-dicyano-4-oxidanyl-phenolate; methyl 3-oxidanylquinolizin-5-ium-4-carboxylate

Systemtic Name: 2,3-bis(chloranyl)-5,6-dicyano-4-oxidanyl-phenolate; methyl 3-oxidanylquinolizin-5-ium-4-carboxylate Openeye Name: 2,3-dichloro-5,6-dicyano-4-hydroxy-phenolate; methyl 3-hydroxyquinolizin-5-ium-4-carboxylate CAS Name: 2,3-dichloro-5,6-dicyano-4-hydroxyphenolate; 3-hydroxy-4-quinolizin-5-iumcarboxylic acid methyl ester IUPAC Name: 2,3-dichloro-5,6-dicyano-4-hydroxyphenolate; methyl 3-hydroxyquinolizin-5-ium-4-carboxylate Traditional Name: 2,3-dichloro-5,6-dicyano-4-hydroxy-phenolate; 3-hydroxyquinolizin-5-ium-4-carboxylic acid methyl ester Formula: C19H11Cl2N3O5 MolecularWeight: 432.21374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC2=CC=CC=[N+]21)O.C(#N)C1=C(C(=C(C(=C1O)Cl)Cl)[O-])C#N

Isomeric SMILES

COC(=O)C1=C(C=CC2=CC=CC=[N+]21)O.C(#N)C1=C(C(=C(C(=C1O)Cl)Cl)[O-])C#N

InChI

InChI=1S/C11H9NO3.C8H2Cl2N2O2/c1-15-11(14)10-9(13)6-5-8-4-2-3-7-12(8)10;9-5-6(10)8(14)4(2-12)3(1-11)7(5)13/h2-7H,1H3;13-14H