5-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate

Systemtic Name: 5-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate Openeye Name: 5-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate CAS Name: 5-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate IUPAC Name: 5-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate Traditional Name: 5-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate Formula: C12H6N5O4- MolecularWeight: 284.20714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC3=NC=NN3C(=C2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC3=NC=NN3C(=C2)C(=O)[O-]

InChI

InChI=1S/C12H7N5O4/c18-11(19)10-5-9(15-12-13-6-14-16(10)12)7-2-1-3-8(4-7)17(20)21/h1-6H,(H,18,19)/p-1