2-oxidanylidenepropyl 3-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: 2-oxidanylidenepropyl 3-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: acetonyl 3-(tetrazol-1-yl)benzoate CAS Name: 3-(1-tetrazolyl)benzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 3-(tetrazol-1-yl)benzoate Traditional Name: 3-(tetrazol-1-yl)benzoic acid acetonyl ester Formula: C11H10N4O3 MolecularWeight: 246.2221

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1=CC(=CC=C1)N2C=NN=N2

Isomeric SMILES

CC(=O)COC(=O)C1=CC(=CC=C1)N2C=NN=N2

InChI

InChI=1S/C11H10N4O3/c1-8(16)6-18-11(17)9-3-2-4-10(5-9)15-7-12-13-14-15/h2-5,7H,6H2,1H3