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

Systemtic Name: prop-2-ynyl 3-[5-[(5-azanyl-1,2,3,4-tetrazol-1-yl)iminomethyl]furan-2-yl]benzoate Openeye Name: prop-2-ynyl 3-[5-[(5-aminotetrazol-1-yl)iminomethyl]-2-furyl]benzoate CAS Name: 3-[5-[(5-amino-1-tetrazolyl)iminomethyl]-2-furanyl]benzoic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 3-[5-[(5-aminotetrazol-1-yl)iminomethyl]furan-2-yl]benzoate Traditional Name: 3-[5-[(5-aminotetrazol-1-yl)iminomethyl]-2-furyl]benzoic acid propargyl ester Formula: C16H12N6O3 MolecularWeight: 336.30488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)C1=CC=CC(=C1)C2=CC=C(O2)C=NN3C(=NN=N3)N

Isomeric SMILES

C#CCOC(=O)C1=CC=CC(=C1)C2=CC=C(O2)C=NN3C(=NN=N3)N

InChI

InChI=1S/C16H12N6O3/c1-2-8-24-15(23)12-5-3-4-11(9-12)14-7-6-13(25-14)10-18-22-16(17)19-20-21-22/h1,3-7,9-10H,8H2,(H2,17,19,21)