dimethyl 5-[4-(1,2,4-triazol-1-yl)phenyl]carbonyloxybenzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[4-(1,2,4-triazol-1-yl)phenyl]carbonyloxybenzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[4-(1,2,4-triazol-1-yl)benzoyl]oxybenzene-1,3-dicarboxylate CAS Name: 5-[oxo-[4-(1,2,4-triazol-1-yl)phenyl]methoxy]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[4-(1,2,4-triazol-1-yl)benzoyl]oxybenzene-1,3-dicarboxylate Traditional Name: 5-[4-(1,2,4-triazol-1-yl)benzoyl]oxybenzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H15N3O6 MolecularWeight: 381.3389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)N3C=NC=N3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)N3C=NC=N3)C(=O)OC

InChI

InChI=1S/C19H15N3O6/c1-26-17(23)13-7-14(18(24)27-2)9-16(8-13)28-19(25)12-3-5-15(6-4-12)22-11-20-10-21-22/h3-11H,1-2H3