[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1,4-dihydroxynaphthalene-2-carboxylate CAS Name: 1,4-dihydroxy-2-naphthalenecarboxylic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1,4-dihydroxynaphthalene-2-carboxylate Traditional Name: 1,4-dihydroxynaphthalene-2-carboxylic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C17H13NO5 MolecularWeight: 311.28882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)OCC(=O)C3=CC=CN3)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)OCC(=O)C3=CC=CN3)O

InChI

InChI=1S/C17H13NO5/c19-14-8-12(16(21)11-5-2-1-4-10(11)14)17(22)23-9-15(20)13-6-3-7-18-13/h1-8,18-19,21H,9H2