4-chloranyl-N-methyl-N'-(4-methylphenyl)-N-(2,4,6-trinitrophenyl)benzenecarboximidamide; methylbenzene

Systemtic Name: 4-chloranyl-N-methyl-N'-(4-methylphenyl)-N-(2,4,6-trinitrophenyl)benzenecarboximidamide; methylbenzene Openeye Name: 4-chloro-N-methyl-N'-(p-tolyl)-N-(2,4,6-trinitrophenyl)benzamidine; toluene CAS Name: 4-chloro-N-methyl-N'-(4-methylphenyl)-N-(2,4,6-trinitrophenyl)benzenecarboximidamide; toluene IUPAC Name: 4-chloro-N-methyl-N'-(4-methylphenyl)-N-(2,4,6-trinitrophenyl)benzenecarboximidamide; toluene Traditional Name: 4-chloro-N-methyl-N-picryl-N'-(p-tolyl)benzamidine; toluene Formula: C28H24ClN5O6 MolecularWeight: 561.97306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN5O6.C7H8/c1-13-3-9-16(10-4-13)23-21(14-5-7-15(22)8-6-14)24(2)20-18(26(30)31)11-17(25(28)29)12-19(20)27(32)33;1-7-5-3-2-4-6-7/h3-12H,1-2H3;2-6H,1H3