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

Systemtic Name: N,N-bis(phenylmethyl)ethanamine; 2,4,6-trinitrophenol Openeye Name: N,N-dibenzylethanamine; picric acid CAS Name: N,N-bis(phenylmethyl)ethanamine; 2,4,6-trinitrophenol IUPAC Name: N,N-dibenzylethanamine; 2,4,6-trinitrophenol Traditional Name: dibenzyl(ethyl)amine; picric acid Formula: C22H22N4O7 MolecularWeight: 454.43268

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Descriptors Computed from Structure

Canonical SMILES:

CCN(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

CCN(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/C16H19N.C6H3N3O7/c1-2-17(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-12H,2,13-14H2,1H3;1-2,10H