O1,O2-diethyl O3-methyl 5-phenyl-3H-1,2,4-triazole-1,2,3-tricarboxylate

Systemtic Name: O1,O2-diethyl O3-methyl 5-phenyl-3H-1,2,4-triazole-1,2,3-tricarboxylate Openeye Name: O1,O2-diethyl O3-methyl 5-phenyl-3H-1,2,4-triazole-1,2,3-tricarboxylate CAS Name: 5-phenyl-3H-1,2,4-triazole-1,2,3-tricarboxylic acid O1,O2-diethyl ester O3-methyl ester IUPAC Name: 1-O,2-O-diethyl 3-O-methyl 5-phenyl-3H-1,2,4-triazole-1,2,3-tricarboxylate Traditional Name: 5-phenyl-3H-1,2,4-triazole-1,2,3-tricarboxylic acid O1,O2-diethyl ester O3-methyl ester Formula: C16H19N3O6 MolecularWeight: 349.33856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(N=C(N1C(=O)OCC)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCOC(=O)N1C(N=C(N1C(=O)OCC)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C16H19N3O6/c1-4-24-15(21)18-12(11-9-7-6-8-10-11)17-13(14(20)23-3)19(18)16(22)25-5-2/h6-10,13H,4-5H2,1-3H3