N,N-bis(phenylmethyl)-3-pyrrolidin-1-yl-propan-1-amine; 2,4,6-trinitrophenol

Systemtic Name: N,N-bis(phenylmethyl)-3-pyrrolidin-1-yl-propan-1-amine; 2,4,6-trinitrophenol Openeye Name: N,N-dibenzyl-3-pyrrolidin-1-yl-propan-1-amine; picric acid CAS Name: N,N-bis(phenylmethyl)-3-(1-pyrrolidinyl)-1-propanamine; 2,4,6-trinitrophenol IUPAC Name: N,N-dibenzyl-3-pyrrolidin-1-ylpropan-1-amine; 2,4,6-trinitrophenol Traditional Name: dibenzyl(3-pyrrolidinopropyl)amine; picric acid Formula: C33H34N8O14 MolecularWeight: 766.66826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCN(CC2=CC=CC=C2)CC3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CCCN(CC2=CC=CC=C2)CC3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H28N2.2C6H3N3O7/c1-3-10-20(11-4-1)18-23(19-21-12-5-2-6-13-21)17-9-16-22-14-7-8-15-22;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-6,10-13H,7-9,14-19H2;2*1-2,10H