methyl 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)carbamoyl]benzoate Openeye Name: methyl 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)carbamoyl]benzoate CAS Name: 4-[oxo-[(5-phenyl-1H-1,2,4-triazol-3-yl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)carbamoyl]benzoate Traditional Name: 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)carbamoyl]benzoic acid methyl ester Formula: C17H14N4O3 MolecularWeight: 322.31806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H14N4O3/c1-24-16(23)13-9-7-12(8-10-13)15(22)19-17-18-14(20-21-17)11-5-3-2-4-6-11/h2-10H,1H3,(H2,18,19,20,21,22)