methyl 4-[5-[(1,2,4-triazol-4-ylamino)methyl]furan-2-yl]benzoate

Systemtic Name: methyl 4-[5-[(1,2,4-triazol-4-ylamino)methyl]furan-2-yl]benzoate Openeye Name: methyl 4-[5-[(1,2,4-triazol-4-ylamino)methyl]-2-furyl]benzoate CAS Name: 4-[5-[(1,2,4-triazol-4-ylamino)methyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[(1,2,4-triazol-4-ylamino)methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(1,2,4-triazol-4-ylamino)methyl]-2-furyl]benzoic acid methyl ester Formula: C15H14N4O3 MolecularWeight: 298.29666

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)CNN3C=NN=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)CNN3C=NN=C3

InChI

InChI=1S/C15H14N4O3/c1-21-15(20)12-4-2-11(3-5-12)14-7-6-13(22-14)8-18-19-9-16-17-10-19/h2-7,9-10,18H,8H2,1H3