5-carbamimidoyl-1-benzofuran-2-carboxylic acid; 3-phenyloxiran-2-one

Systemtic Name: 5-carbamimidoyl-1-benzofuran-2-carboxylic acid; 3-phenyloxiran-2-one Openeye Name: 5-carbamimidoylbenzofuran-2-carboxylic acid; 3-phenyloxiran-2-one CAS Name: 5-carbamimidoyl-2-benzofurancarboxylic acid; 3-phenyl-2-oxiranone IUPAC Name: 5-carbamimidoyl-1-benzofuran-2-carboxylic acid; 3-phenyloxiran-2-one Traditional Name: 5-amidinocoumarilic acid; 3-phenyloxiran-2-one Formula: C18H14N2O5 MolecularWeight: 338.31416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(=O)O2.C1=CC2=C(C=C1C(=N)N)C=C(O2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2C(=O)O2.C1=CC2=C(C=C1C(=N)N)C=C(O2)C(=O)O

InChI

InChI=1S/C10H8N2O3.C8H6O2/c11-9(12)5-1-2-7-6(3-5)4-8(15-7)10(13)14;9-8-7(10-8)6-4-2-1-3-5-6/h1-4H,(H3,11,12)(H,13,14);1-5,7H