[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C14H11N5O3 MolecularWeight: 297.26884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C=NN=N3

Isomeric SMILES

C1=CNC(=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C=NN=N3

InChI

InChI=1S/C14H11N5O3/c20-13(12-2-1-7-15-12)8-22-14(21)10-3-5-11(6-4-10)19-9-16-17-18-19/h1-7,9,15H,8H2