3-([1]benzofuro[3,2-d]pyrimidin-4-ylazaniumyl)benzoate

Systemtic Name: 3-([1]benzofuro[3,2-d]pyrimidin-4-ylazaniumyl)benzoate Openeye Name: 3-(benzofuro[3,2-d]pyrimidin-4-ylammonio)benzoate CAS Name: 3-(4-benzofuro[3,2-d]pyrimidinylammonio)benzoate IUPAC Name: 3-([1]benzofuro[3,2-d]pyrimidin-4-ylazaniumyl)benzoate Traditional Name: 3-(benzofuro[3,2-d]pyrimidin-4-ylammonio)benzoate Formula: C17H11N3O3 MolecularWeight: 305.28754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)[NH2+]C4=CC=CC(=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)[NH2+]C4=CC=CC(=C4)C(=O)[O-]

InChI

InChI=1S/C17H11N3O3/c21-17(22)10-4-3-5-11(8-10)20-16-15-14(18-9-19-16)12-6-1-2-7-13(12)23-15/h1-9H,(H,21,22)(H,18,19,20)