5,7-dinitro-1-benzofuran-2-carboxylic acid

Systemtic Name: 5,7-dinitro-1-benzofuran-2-carboxylic acid Openeye Name: 5,7-dinitrobenzofuran-2-carboxylic acid CAS Name: 5,7-dinitro-2-benzofurancarboxylic acid IUPAC Name: 5,7-dinitro-1-benzofuran-2-carboxylic acid Traditional Name: 5,7-dinitrocoumarilic acid Formula: C9H4N2O7 MolecularWeight: 252.13726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(OC2=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=C2C=C(OC2=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C9H4N2O7/c12-9(13)7-2-4-1-5(10(14)15)3-6(11(16)17)8(4)18-7/h1-3H,(H,12,13)