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

Systemtic Name: 5-[5-[(5-azanyl-1,2,3,4-tetrazol-1-yl)iminomethyl]furan-2-yl]-2-chloranyl-benzoate Openeye Name: 5-[5-[(5-aminotetrazol-1-yl)iminomethyl]-2-furyl]-2-chloro-benzoate CAS Name: 5-[5-[(5-amino-1-tetrazolyl)iminomethyl]-2-furanyl]-2-chlorobenzoate IUPAC Name: 5-[5-[(5-aminotetrazol-1-yl)iminomethyl]furan-2-yl]-2-chlorobenzoate Traditional Name: 5-[5-[(5-aminotetrazol-1-yl)iminomethyl]-2-furyl]-2-chloro-benzoate Formula: C13H8ClN6O3- MolecularWeight: 331.69402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC=C(O2)C=NN3C(=NN=N3)N)C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C2=CC=C(O2)C=NN3C(=NN=N3)N)C(=O)[O-])Cl

InChI

InChI=1S/C13H9ClN6O3/c14-10-3-1-7(5-9(10)12(21)22)11-4-2-8(23-11)6-16-20-13(15)17-18-19-20/h1-6H,(H,21,22)(H2,15,17,19)/p-1