9H-xanthen-9-yl N-[2-(cyanomethyl)-1,2,3,4-tetrazol-5-yl]carbamate

Systemtic Name: 9H-xanthen-9-yl N-[2-(cyanomethyl)-1,2,3,4-tetrazol-5-yl]carbamate Openeye Name: 9H-xanthen-9-yl N-[2-(cyanomethyl)tetrazol-5-yl]carbamate CAS Name: N-[2-(cyanomethyl)-5-tetrazolyl]carbamic acid 9H-xanthen-9-yl ester IUPAC Name: 9H-xanthen-9-yl N-[2-(cyanomethyl)tetrazol-5-yl]carbamate Traditional Name: N-[2-(cyanomethyl)tetrazol-5-yl]carbamic acid 9H-xanthen-9-yl ester Formula: C17H12N6O3 MolecularWeight: 348.31558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)OC(=O)NC4=NN(N=N4)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)OC(=O)NC4=NN(N=N4)CC#N

InChI

InChI=1S/C17H12N6O3/c18-9-10-23-21-16(20-22-23)19-17(24)26-15-11-5-1-3-7-13(11)25-14-8-4-2-6-12(14)15/h1-8,15H,10H2,(H,19,21,24)