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

Systemtic Name: benzamide; (4-carboxyoxy-1H-pyrrol-3-yl) hydrogen carbonate Openeye Name: benzamide; (4-carboxyoxy-1H-pyrrol-3-yl) hydrogen carbonate CAS Name: benzamide; carbonic acid (4-carboxyoxy-1H-pyrrol-3-yl) ester IUPAC Name: benzamide; (4-carboxyoxy-1H-pyrrol-3-yl) hydrogen carbonate Traditional Name: benzamide; carbonic acid (4-carboxyoxy-1H-pyrrol-3-yl) ester Formula: C13H12N2O7 MolecularWeight: 308.24358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7NO.C6H5NO6/c8-7(9)6-4-2-1-3-5-6;8-5(9)12-3-1-7-2-4(3)13-6(10)11/h1-5H,(H2,8,9);1-2,7H,(H,8,9)(H,10,11)