3,5-bis(ethoxycarbonyl)-4-phenyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 3,5-bis(ethoxycarbonyl)-4-phenyl-1H-pyrrole-2-carboxylic acid Openeye Name: 3,5-bis(ethoxycarbonyl)-4-phenyl-1H-pyrrole-2-carboxylic acid CAS Name: 3,5-bis(ethoxycarbonyl)-4-phenyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 3,5-bis(ethoxycarbonyl)-4-phenyl-1H-pyrrole-2-carboxylic acid Traditional Name: 3,5-dicarbethoxy-4-phenyl-1H-pyrrole-2-carboxylic acid Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)C(=O)OCC)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)C(=O)OCC)C(=O)O

InChI

InChI=1S/C17H17NO6/c1-3-23-16(21)12-11(10-8-6-5-7-9-10)14(17(22)24-4-2)18-13(12)15(19)20/h5-9,18H,3-4H2,1-2H3,(H,19,20)