(4-nitrophenyl) 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

Systemtic Name: (4-nitrophenyl) 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate Openeye Name: (4-nitrophenyl) 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate CAS Name: 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate Traditional Name: 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (4-nitrophenyl) ester Formula: C13H9N5O4 MolecularWeight: 299.24166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NC2=NC(=NN12)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=NC2=NC(=NN12)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H9N5O4/c1-8-6-7-14-13-15-11(16-17(8)13)12(19)22-10-4-2-9(3-5-10)18(20)21/h2-7H,1H3