2-phenyl-N,N-bis(phenylmethyl)ethanamine; 2,4,6-trinitrophenol

Systemtic Name: 2-phenyl-N,N-bis(phenylmethyl)ethanamine; 2,4,6-trinitrophenol Openeye Name: N,N-dibenzyl-2-phenyl-ethanamine; picric acid CAS Name: 2-phenyl-N,N-bis(phenylmethyl)ethanamine; 2,4,6-trinitrophenol IUPAC Name: N,N-dibenzyl-2-phenylethanamine; 2,4,6-trinitrophenol Traditional Name: dibenzyl(phenethyl)amine; picric acid Formula: C28H26N4O7 MolecularWeight: 530.52864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)CC3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)CC3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H23N.C6H3N3O7/c1-4-10-20(11-5-1)16-17-23(18-21-12-6-2-7-13-21)19-22-14-8-3-9-15-22;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-15H,16-19H2;1-2,10H