3-[2-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[2-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoic acid CAS Name: 3-[2-[(E)-1,2,4-triazol-4-yliminomethyl]-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoic acid Formula: C14H11N5O2 MolecularWeight: 281.26944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=CC=C2C=NN3C=NN=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C=CC=C2/C=N/N3C=NN=C3)C(=O)O

InChI

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