5-(5-nitro-2-propoxy-phenyl)-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 5-(5-nitro-2-propoxy-phenyl)-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-(5-nitro-2-propoxy-phenyl)triazolo[4,5-d]pyrimidin-7-one CAS Name: 5-(5-nitro-2-propoxyphenyl)-7-triazolo[4,5-d]pyrimidinone IUPAC Name: 5-(5-nitro-2-propoxyphenyl)triazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-(5-nitro-2-propoxy-phenyl)triazolo[4,5-d]pyrimidin-7-one Formula: C13H10N6O4 MolecularWeight: 314.2563

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)[N+](=O)[O-])C2=NC(=O)C3=NN=NC3=N2

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[N+](=O)[O-])C2=NC(=O)C3=NN=NC3=N2

InChI

InChI=1S/C13H10N6O4/c1-2-5-23-9-4-3-7(19(21)22)6-8(9)11-14-12-10(13(20)15-11)16-18-17-12/h3-4,6H,2,5H2,1H3