N,1-bis(2,4,6-trinitrophenyl)pyrimidin-2-imine

Systemtic Name: N,1-bis(2,4,6-trinitrophenyl)pyrimidin-2-imine Openeye Name: N,1-bis(2,4,6-trinitrophenyl)pyrimidin-2-imine CAS Name: N,1-bis(2,4,6-trinitrophenyl)-2-pyrimidinimine IUPAC Name: N,1-bis(2,4,6-trinitrophenyl)pyrimidin-2-imine Traditional Name: picryl-(1-picrylpyrimidin-2-ylidene)amine Formula: C16H7N9O12 MolecularWeight: 517.27988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N=C1)C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CN(C(=NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N=C1)C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H7N9O12/c26-20(27)8-4-10(22(30)31)14(11(5-8)23(32)33)18-16-17-2-1-3-19(16)15-12(24(34)35)6-9(21(28)29)7-13(15)25(36)37/h1-7H