O3-ethyl O6-methyl 4-[(3-hydroxyphenyl)amino]quinolin-1-ium-3,6-dicarboxylate

Systemtic Name: O3-ethyl O6-methyl 4-[(3-hydroxyphenyl)amino]quinolin-1-ium-3,6-dicarboxylate Openeye Name: O3-ethyl O6-methyl 4-(3-hydroxyanilino)quinolin-1-ium-3,6-dicarboxylate CAS Name: 4-(3-hydroxyanilino)quinolin-1-ium-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester IUPAC Name: 3-O-ethyl 6-O-methyl 4-(3-hydroxyanilino)quinolin-1-ium-3,6-dicarboxylate Traditional Name: 4-(3-hydroxyanilino)quinolin-1-ium-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester Formula: C20H19N2O5+ MolecularWeight: 367.37526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NC3=CC(=CC=C3)O)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NC3=CC(=CC=C3)O)C(=O)OC

InChI

InChI=1S/C20H18N2O5/c1-3-27-20(25)16-11-21-17-8-7-12(19(24)26-2)9-15(17)18(16)22-13-5-4-6-14(23)10-13/h4-11,23H,3H2,1-2H3,(H,21,22)/p+1