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

Systemtic Name: 4-methoxy-N-methyl-N'-(4-methylphenyl)-N-(2,4,6-trinitrophenyl)benzenecarboximidamide; methylbenzene Openeye Name: 4-methoxy-N-methyl-N'-(p-tolyl)-N-(2,4,6-trinitrophenyl)benzamidine; toluene CAS Name: 4-methoxy-N-methyl-N'-(4-methylphenyl)-N-(2,4,6-trinitrophenyl)benzenecarboximidamide; toluene IUPAC Name: 4-methoxy-N-methyl-N'-(4-methylphenyl)-N-(2,4,6-trinitrophenyl)benzenecarboximidamide; toluene Traditional Name: 4-methoxy-N-methyl-N-picryl-N'-(p-tolyl)benzamidine; toluene Formula: C29H27N5O7 MolecularWeight: 557.55398

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

InChI

InChI=1S/C22H19N5O7.C7H8/c1-14-4-8-16(9-5-14)23-22(15-6-10-18(34-3)11-7-15)24(2)21-19(26(30)31)12-17(25(28)29)13-20(21)27(32)33;1-7-5-3-2-4-6-7/h4-13H,1-3H3;2-6H,1H3