phenyl-[1-(2H-1,2,3,4-tetrazol-5-ylmethyl)pyrrol-3-yl]methanone

Systemtic Name: phenyl-[1-(2H-1,2,3,4-tetrazol-5-ylmethyl)pyrrol-3-yl]methanone Openeye Name: phenyl-[1-(2H-tetrazol-5-ylmethyl)pyrrol-3-yl]methanone CAS Name: phenyl-[1-(2H-tetrazol-5-ylmethyl)-3-pyrrolyl]methanone IUPAC Name: phenyl-[1-(2H-tetrazol-5-ylmethyl)pyrrol-3-yl]methanone Traditional Name: phenyl-[1-(2H-tetrazol-5-ylmethyl)pyrrol-3-yl]methanone Formula: C13H11N5O MolecularWeight: 253.25934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CN(C=C2)CC3=NNN=N3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CN(C=C2)CC3=NNN=N3

InChI

InChI=1S/C13H11N5O/c19-13(10-4-2-1-3-5-10)11-6-7-18(8-11)9-12-14-16-17-15-12/h1-8H,9H2,(H,14,15,16,17)