4-bromanyl-N-methyl-N'-(4-methylphenyl)-N-(2,4,6-trinitrophenyl)benzenecarboximidamide

Systemtic Name: 4-bromanyl-N-methyl-N'-(4-methylphenyl)-N-(2,4,6-trinitrophenyl)benzenecarboximidamide Openeye Name: 4-bromo-N-methyl-N'-(p-tolyl)-N-(2,4,6-trinitrophenyl)benzamidine CAS Name: 4-bromo-N-methyl-N'-(4-methylphenyl)-N-(2,4,6-trinitrophenyl)benzenecarboximidamide IUPAC Name: 4-bromo-N-methyl-N'-(4-methylphenyl)-N-(2,4,6-trinitrophenyl)benzenecarboximidamide Traditional Name: 4-bromo-N-methyl-N-picryl-N'-(p-tolyl)benzamidine Formula: C21H16BrN5O6 MolecularWeight: 514.28564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrN5O6/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/h3-12H,1-2H3