3-ethoxycarbonylisoquinoline-2,3-dicarboxylic acid

Systemtic Name: 3-ethoxycarbonylisoquinoline-2,3-dicarboxylic acid Openeye Name: 3-ethoxycarbonylisoquinoline-2,3-dicarboxylic acid CAS Name: 3-ethoxycarbonylisoquinoline-2,3-dicarboxylic acid IUPAC Name: 3-ethoxycarbonylisoquinoline-2,3-dicarboxylic acid Traditional Name: 3-carbethoxyisoquinoline-2,3-dicarboxylic acid Formula: C14H13NO6 MolecularWeight: 291.25612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C=C2C=CC=CC2=CN1C(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)C1(C=C2C=CC=CC2=CN1C(=O)O)C(=O)O

InChI

InChI=1S/C14H13NO6/c1-2-21-12(18)14(11(16)17)7-9-5-3-4-6-10(9)8-15(14)13(19)20/h3-8H,2H2,1H3,(H,16,17)(H,19,20)