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

Systemtic Name: 3-methyl-4-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzoic acid Openeye Name: 3-methyl-4-[5-[(E)-1,2,4-triazol-4-yliminomethyl]-2-furyl]benzoic acid CAS Name: 3-methyl-4-[5-[(E)-1,2,4-triazol-4-yliminomethyl]-2-furanyl]benzoic acid IUPAC Name: 3-methyl-4-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzoic acid Traditional Name: 3-methyl-4-[5-[(E)-1,2,4-triazol-4-yliminomethyl]-2-furyl]benzoic acid Formula: C15H12N4O3 MolecularWeight: 296.28078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)C=NN3C=NN=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)/C=N/N3C=NN=C3

InChI

InChI=1S/C15H12N4O3/c1-10-6-11(15(20)21)2-4-13(10)14-5-3-12(22-14)7-18-19-8-16-17-9-19/h2-9H,1H3,(H,20,21)/b18-7+