sodium 6-methoxy-2-(4-nitrophenyl)quinoline-4-carboxylate

Systemtic Name: sodium 6-methoxy-2-(4-nitrophenyl)quinoline-4-carboxylate Openeye Name: sodium 6-methoxy-2-(4-nitrophenyl)quinoline-4-carboxylate CAS Name: sodium 6-methoxy-2-(4-nitrophenyl)-4-quinolinecarboxylate IUPAC Name: sodium 6-methoxy-2-(4-nitrophenyl)quinoline-4-carboxylate Traditional Name: sodium 6-methoxy-2-(4-nitrophenyl)cinchoninate Formula: C17H11N2NaO5 MolecularWeight: 346.26941

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-].[Na+]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-].[Na+]

InChI

InChI=1S/C17H12N2O5.Na/c1-24-12-6-7-15-13(8-12)14(17(20)21)9-16(18-15)10-2-4-11(5-3-10)19(22)23;/h2-9H,1H3,(H,20,21);/q;+1/p-1