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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=NC1=NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CN(C=NC1=NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

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