2-methoxycarbonyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

Systemtic Name: 2-methoxycarbonyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid Openeye Name: 2-methoxycarbonyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid CAS Name: 2-methoxycarbonyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid IUPAC Name: 2-methoxycarbonyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid Traditional Name: 2-carbomethoxy-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid Formula: C14H12N4O4 MolecularWeight: 300.26948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC2=NC(=CC(N2N1)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC(=O)C1=NC2=NC(=CC(N2N1)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C14H12N4O4/c1-22-13(21)11-16-14-15-9(12(19)20)7-10(18(14)17-11)8-5-3-2-4-6-8/h2-7,10H,1H3,(H,19,20)(H,15,16,17)