4-[2,5-dimethyl-3-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoic acid

Systemtic Name: 4-[2,5-dimethyl-3-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoic acid Openeye Name: 4-[2,5-dimethyl-3-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoic acid CAS Name: 4-[2,5-dimethyl-3-[(E)-1,2,4-triazol-4-yliminomethyl]-1-pyrrolyl]benzoic acid IUPAC Name: 4-[2,5-dimethyl-3-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoic acid Traditional Name: 4-[2,5-dimethyl-3-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoic acid Formula: C16H15N5O2 MolecularWeight: 309.3226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=NN3C=NN=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)/C=N/N3C=NN=C3

InChI

InChI=1S/C16H15N5O2/c1-11-7-14(8-19-20-9-17-18-10-20)12(2)21(11)15-5-3-13(4-6-15)16(22)23/h3-10H,1-2H3,(H,22,23)/b19-8+