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

Systemtic Name: 4-chloranyl-N,N'-bis(4-methylphenyl)-N-(2,4,6-trinitrophenyl)benzenecarboximidamide Openeye Name: 4-chloro-N,N'-bis(p-tolyl)-N-(2,4,6-trinitrophenyl)benzamidine CAS Name: 4-chloro-N,N'-bis(4-methylphenyl)-N-(2,4,6-trinitrophenyl)benzenecarboximidamide IUPAC Name: 4-chloro-N,N'-bis(4-methylphenyl)-N-(2,4,6-trinitrophenyl)benzenecarboximidamide Traditional Name: 4-chloro-N-picryl-N,N'-bis(p-tolyl)benzamidine Formula: C27H20ClN5O6 MolecularWeight: 545.9306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C(C2=CC=C(C=C2)Cl)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)Cl)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/C27H20ClN5O6/c1-17-3-11-21(12-4-17)29-27(19-7-9-20(28)10-8-19)30(22-13-5-18(2)6-14-22)26-24(32(36)37)15-23(31(34)35)16-25(26)33(38)39/h3-16H,1-2H3