ethyl 4-(2H-1,2,3,4-tetrazol-5-yl)butanoate; 1-phenylethanone

Systemtic Name: ethyl 4-(2H-1,2,3,4-tetrazol-5-yl)butanoate; 1-phenylethanone Openeye Name: ethyl 4-(2H-tetrazol-5-yl)butanoate; 1-phenylethanone CAS Name: 1-phenylethanone; 4-(2H-tetrazol-5-yl)butanoic acid ethyl ester IUPAC Name: ethyl 4-(2H-tetrazol-5-yl)butanoate; 1-phenylethanone Traditional Name: acetophenone; 4-(2H-tetrazol-5-yl)butyric acid ethyl ester Formula: C15H20N4O3 MolecularWeight: 304.3443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1=NNN=N1.CC(=O)C1=CC=CC=C1

Isomeric SMILES

CCOC(=O)CCCC1=NNN=N1.CC(=O)C1=CC=CC=C1

InChI

InChI=1S/C8H8O.C7H12N4O2/c1-7(9)8-5-3-2-4-6-8;1-2-13-7(12)5-3-4-6-8-10-11-9-6/h2-6H,1H3;2-5H2,1H3,(H,8,9,10,11)