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

Systemtic Name: propan-2-yl 4-[5-[(5-azanyl-1,2,3,4-tetrazol-1-yl)iminomethyl]furan-2-yl]benzoate Openeye Name: isopropyl 4-[5-[(5-aminotetrazol-1-yl)iminomethyl]-2-furyl]benzoate CAS Name: 4-[5-[(5-amino-1-tetrazolyl)iminomethyl]-2-furanyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[5-[(5-aminotetrazol-1-yl)iminomethyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(5-aminotetrazol-1-yl)iminomethyl]-2-furyl]benzoic acid isopropyl ester Formula: C16H16N6O3 MolecularWeight: 340.33664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N6O3/c1-10(2)24-15(23)12-5-3-11(4-6-12)14-8-7-13(25-14)9-18-22-16(17)19-20-21-22/h3-10H,1-2H3,(H2,17,19,21)