3-methyl-N,N-bis(phenylmethyl)butan-2-amine; 2,4,6-trinitrophenol

Systemtic Name: 3-methyl-N,N-bis(phenylmethyl)butan-2-amine; 2,4,6-trinitrophenol Openeye Name: N,N-dibenzyl-3-methyl-butan-2-amine; picric acid CAS Name: 3-methyl-N,N-bis(phenylmethyl)-2-butanamine; 2,4,6-trinitrophenol IUPAC Name: N,N-dibenzyl-3-methylbutan-2-amine; 2,4,6-trinitrophenol Traditional Name: dibenzyl(1,2-dimethylpropyl)amine; picric acid Formula: C25H28N4O7 MolecularWeight: 496.51242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)N(CC1=CC=CC=C1)CC2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C)N(CC1=CC=CC=C1)CC2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H25N.C6H3N3O7/c1-16(2)17(3)20(14-18-10-6-4-7-11-18)15-19-12-8-5-9-13-19;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-13,16-17H,14-15H2,1-3H3;1-2,10H