3-diethoxyphosphoryl-8-iodanyl-7-methyl-4-(4-nitrophenyl)pyrazolo[5,1-c][1,2,4]triazine

Systemtic Name: 3-diethoxyphosphoryl-8-iodanyl-7-methyl-4-(4-nitrophenyl)pyrazolo[5,1-c][1,2,4]triazine Openeye Name: 3-diethoxyphosphoryl-8-iodo-7-methyl-4-(4-nitrophenyl)pyrazolo[5,1-c][1,2,4]triazine CAS Name: 3-diethoxyphosphoryl-8-iodo-7-methyl-4-(4-nitrophenyl)pyrazolo[5,1-c][1,2,4]triazine IUPAC Name: 3-diethoxyphosphoryl-8-iodo-7-methyl-4-(4-nitrophenyl)pyrazolo[5,1-c][1,2,4]triazine Traditional Name: 3-diethoxyphosphoryl-8-iodo-7-methyl-4-(4-nitrophenyl)pyrazolo[5,1-c][1,2,4]triazine Formula: C16H17IN5O5P MolecularWeight: 517.214911

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=C(N2C(=C(C(=N2)C)I)N=N1)C3=CC=C(C=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOP(=O)(C1=C(N2C(=C(C(=N2)C)I)N=N1)C3=CC=C(C=C3)[N+](=O)[O-])OCC

InChI

InChI=1S/C16H17IN5O5P/c1-4-26-28(25,27-5-2)16-14(11-6-8-12(9-7-11)22(23)24)21-15(18-19-16)13(17)10(3)20-21/h6-9H,4-5H2,1-3H3