3-[5-[(Z)-(5-azanyl-1,2,3,4-tetrazol-1-yl)iminomethyl]furan-2-yl]benzoate

Systemtic Name: 3-[5-[(Z)-(5-azanyl-1,2,3,4-tetrazol-1-yl)iminomethyl]furan-2-yl]benzoate Openeye Name: 3-[5-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]-2-furyl]benzoate CAS Name: 3-[5-[(Z)-(5-amino-1-tetrazolyl)iminomethyl]-2-furanyl]benzoate IUPAC Name: 3-[5-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]furan-2-yl]benzoate Traditional Name: 3-[5-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]-2-furyl]benzoate Formula: C13H9N6O3- MolecularWeight: 297.24896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)[O-])C2=CC=C(O2)C=NN3C(=NN=N3)N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)[O-])C2=CC=C(O2)/C=N\N3C(=NN=N3)N

InChI

InChI=1S/C13H10N6O3/c14-13-16-17-18-19(13)15-7-10-4-5-11(22-10)8-2-1-3-9(6-8)12(20)21/h1-7H,(H,20,21)(H2,14,16,18)/p-1/b15-7-