4-[2-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoate

Systemtic Name: 4-[2-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoate Openeye Name: 4-[2-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoate CAS Name: 4-[2-[(Z)-1,2,4-triazol-4-yliminomethyl]-1-pyrrolyl]benzoate IUPAC Name: 4-[2-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoate Formula: C14H10N5O2- MolecularWeight: 280.2615

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=C1)C=NN2C=NN=C2)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CN(C(=C1)/C=N\N2C=NN=C2)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C14H11N5O2/c20-14(21)11-3-5-12(6-4-11)19-7-1-2-13(19)8-17-18-9-15-16-10-18/h1-10H,(H,20,21)/p-1/b17-8-