N,N'-dimethyl-N,N'-diphenyl-butane-1,4-diamine; 2,4,6-trinitrophenol

Systemtic Name: N,N'-dimethyl-N,N'-diphenyl-butane-1,4-diamine; 2,4,6-trinitrophenol Openeye Name: N,N'-dimethyl-N,N'-diphenyl-butane-1,4-diamine; picric acid CAS Name: N,N'-dimethyl-N,N'-diphenylbutane-1,4-diamine; 2,4,6-trinitrophenol IUPAC Name: N,N'-dimethyl-N,N'-diphenylbutane-1,4-diamine; 2,4,6-trinitrophenol Traditional Name: methyl-[4-(N-methylanilino)butyl]-phenyl-amine; picric acid Formula: C24H27N5O7 MolecularWeight: 497.50048

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCN(C)C1=CC=CC=C1)C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(CCCCN(C)C1=CC=CC=C1)C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H24N2.C6H3N3O7/c1-19(17-11-5-3-6-12-17)15-9-10-16-20(2)18-13-7-4-8-14-18;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-8,11-14H,9-10,15-16H2,1-2H3;1-2,10H