(4-carboxyoxy-1H-pyrrol-3-yl) hydrogen carbonate; N-methylbenzamide

Systemtic Name: (4-carboxyoxy-1H-pyrrol-3-yl) hydrogen carbonate; N-methylbenzamide Openeye Name: (4-carboxyoxy-1H-pyrrol-3-yl) hydrogen carbonate; N-methylbenzamide CAS Name: carbonic acid (4-carboxyoxy-1H-pyrrol-3-yl) ester; N-methylbenzamide IUPAC Name: (4-carboxyoxy-1H-pyrrol-3-yl) hydrogen carbonate; N-methylbenzamide Traditional Name: carbonic acid (4-carboxyoxy-1H-pyrrol-3-yl) ester; N-methylbenzamide Formula: C14H14N2O7 MolecularWeight: 322.27016

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=CC=C1.C1=C(C(=CN1)OC(=O)O)OC(=O)O

Isomeric SMILES

CNC(=O)C1=CC=CC=C1.C1=C(C(=CN1)OC(=O)O)OC(=O)O

InChI

InChI=1S/C8H9NO.C6H5NO6/c1-9-8(10)7-5-3-2-4-6-7;8-5(9)12-3-1-7-2-4(3)13-6(10)11/h2-6H,1H3,(H,9,10);1-2,7H,(H,8,9)(H,10,11)