N,N-bis(phenylmethyl)pentan-1-amine; 2,4,6-trinitrophenol

Systemtic Name: N,N-bis(phenylmethyl)pentan-1-amine; 2,4,6-trinitrophenol Openeye Name: N,N-dibenzylpentan-1-amine; picric acid CAS Name: N,N-bis(phenylmethyl)-1-pentanamine; 2,4,6-trinitrophenol IUPAC Name: N,N-dibenzylpentan-1-amine; 2,4,6-trinitrophenol Traditional Name: amyl(dibenzyl)amine; picric acid Formula: C25H28N4O7 MolecularWeight: 496.51242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(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

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