N,N'-bis(4-methylphenyl)-4-nitro-N-(2,4,6-trinitrophenyl)benzenecarboximidamide

Systemtic Name: N,N'-bis(4-methylphenyl)-4-nitro-N-(2,4,6-trinitrophenyl)benzenecarboximidamide Openeye Name: 4-nitro-N,N'-bis(p-tolyl)-N-(2,4,6-trinitrophenyl)benzamidine CAS Name: N,N'-bis(4-methylphenyl)-4-nitro-N-(2,4,6-trinitrophenyl)benzenecarboximidamide IUPAC Name: N,N'-bis(4-methylphenyl)-4-nitro-N-(2,4,6-trinitrophenyl)benzenecarboximidamide Traditional Name: 4-nitro-N-picryl-N,N'-bis(p-tolyl)benzamidine Formula: C27H20N6O8 MolecularWeight: 556.4831

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C(C2=CC=C(C=C2)[N+](=O)[O-])N(C3=CC=C(C=C3)C)C4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N=C(C2=CC=C(C=C2)[N+](=O)[O-])N(C3=CC=C(C=C3)C)C4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C27H20N6O8/c1-17-3-9-20(10-4-17)28-27(19-7-13-22(14-8-19)30(34)35)29(21-11-5-18(2)6-12-21)26-24(32(38)39)15-23(31(36)37)16-25(26)33(40)41/h3-16H,1-2H3