5-carbamimidoyl-3-ethyl-1-benzofuran-2-carboxylic acid; oxiran-2-one

Systemtic Name: 5-carbamimidoyl-3-ethyl-1-benzofuran-2-carboxylic acid; oxiran-2-one Openeye Name: 5-carbamimidoyl-3-ethyl-benzofuran-2-carboxylic acid; oxiran-2-one CAS Name: 5-carbamimidoyl-3-ethyl-2-benzofurancarboxylic acid; 2-oxiranone IUPAC Name: 5-carbamimidoyl-3-ethyl-1-benzofuran-2-carboxylic acid; oxiran-2-one Traditional Name: 5-amidino-3-ethyl-coumarilic acid; oxiran-2-one Formula: C14H14N2O5 MolecularWeight: 290.27136

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC2=C1C=C(C=C2)C(=N)N)C(=O)O.C1C(=O)O1

Isomeric SMILES

CCC1=C(OC2=C1C=C(C=C2)C(=N)N)C(=O)O.C1C(=O)O1

InChI

InChI=1S/C12H12N2O3.C2H2O2/c1-2-7-8-5-6(11(13)14)3-4-9(8)17-10(7)12(15)16;3-2-1-4-2/h3-5H,2H2,1H3,(H3,13,14)(H,15,16);1H2