dimethyl 5-[5-[(1,2,4-triazol-4-ylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[5-[(1,2,4-triazol-4-ylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[5-[(1,2,4-triazol-4-ylamino)methyl]-2-furyl]benzene-1,3-dicarboxylate CAS Name: 5-[5-[(1,2,4-triazol-4-ylamino)methyl]-2-furanyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[5-[(1,2,4-triazol-4-ylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate Traditional Name: 5-[5-[(1,2,4-triazol-4-ylamino)methyl]-2-furyl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H16N4O5 MolecularWeight: 356.33274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O5/c1-24-16(22)12-5-11(6-13(7-12)17(23)25-2)15-4-3-14(26-15)8-20-21-9-18-19-10-21/h3-7,9-10,20H,8H2,1-2H3