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

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

Systemtic Name:4-[2-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoic acid
Openeye Name:4-[2-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoic acid
CAS Name:4-[2-[(E)-1,2,4-triazol-4-yliminomethyl]-1-pyrrolyl]benzoic acid
IUPAC Name:4-[2-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoic acid
Traditional Name:4-[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=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)/b17-8+


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