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

Systemtic Name: N,1-bis(2,4,6-trinitrophenyl)pyridin-2-imine Openeye Name: N,1-bis(2,4,6-trinitrophenyl)pyridin-2-imine CAS Name: N,1-bis(2,4,6-trinitrophenyl)-2-pyridinimine IUPAC Name: N,1-bis(2,4,6-trinitrophenyl)pyridin-2-imine Traditional Name: picryl-(1-picryl-2-pyridylidene)amine Formula: C17H8N8O12 MolecularWeight: 517.285229

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[15N](C=C1)C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H8N8O12/c26-20(27)9-5-11(22(30)31)16(12(6-9)23(32)33)18-15-3-1-2-4-19(15)17-13(24(34)35)7-10(21(28)29)8-14(17)25(36)37/h1-8H/i19+1