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

Systemtic Name: methylbenzene; N-methyl-N'-(4-methylphenyl)-4-nitro-N-(2,4,6-trinitrophenyl)benzenecarboximidamide Openeye Name: N-methyl-4-nitro-N'-(p-tolyl)-N-(2,4,6-trinitrophenyl)benzamidine; toluene CAS Name: N-methyl-N'-(4-methylphenyl)-4-nitro-N-(2,4,6-trinitrophenyl)benzenecarboximidamide; toluene IUPAC Name: N-methyl-N'-(4-methylphenyl)-4-nitro-N-(2,4,6-trinitrophenyl)benzenecarboximidamide; toluene Traditional Name: N-methyl-4-nitro-N-picryl-N'-(p-tolyl)benzamidine; toluene Formula: C28H24N6O8 MolecularWeight: 572.52556

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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)[N+](=O)[O-])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)[N+](=O)[O-])N(C)C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H16N6O8.C7H8/c1-13-3-7-15(8-4-13)22-21(14-5-9-16(10-6-14)24(28)29)23(2)20-18(26(32)33)11-17(25(30)31)12-19(20)27(34)35;1-7-5-3-2-4-6-7/h3-12H,1-2H3;2-6H,1H3