(E)-3-(1-azanylideneboranylpyrrol-3-yl)-3-oxidanyl-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(1-azanylideneboranylpyrrol-3-yl)-3-oxidanyl-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one Openeye Name: (E)-3-hydroxy-3-(1-iminoboranylpyrrol-3-yl)-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one CAS Name: (E)-3-hydroxy-3-(1-iminoboranyl-3-pyrrolyl)-1-(1H-1,2,4-triazol-5-yl)-2-propen-1-one IUPAC Name: (E)-3-hydroxy-3-(1-iminoboranylpyrrol-3-yl)-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one Traditional Name: (E)-3-hydroxy-3-(1-iminoboranylpyrrol-3-yl)-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one Formula: C9H8BN5O2 MolecularWeight: 229.00312

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Descriptors Computed from Structure

Canonical SMILES:

B(=N)N1C=CC(=C1)C(=CC(=O)C2=NC=NN2)O

Isomeric SMILES

B(=N)N1C=CC(=C1)/C(=C\C(=O)C2=NC=NN2)/O

InChI

InChI=1S/C9H8BN5O2/c11-10-15-2-1-6(4-15)7(16)3-8(17)9-12-5-13-14-9/h1-5,11,16H,(H,12,13,14)/b7-3+