2-(pyrrolidin-1-ylmethyl)aniline; 2,4,6-trinitrophenol

Systemtic Name: 2-(pyrrolidin-1-ylmethyl)aniline; 2,4,6-trinitrophenol Openeye Name: picric acid; 2-(pyrrolidin-1-ylmethyl)aniline CAS Name: 2-(1-pyrrolidinylmethyl)aniline; 2,4,6-trinitrophenol IUPAC Name: 2-(pyrrolidin-1-ylmethyl)aniline; 2,4,6-trinitrophenol Traditional Name: picric acid; [2-(pyrrolidinomethyl)phenyl]amine Formula: C17H19N5O7 MolecularWeight: 405.36206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC=C2N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CC2=CC=CC=C2N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H16N2.C6H3N3O7/c12-11-6-2-1-5-10(11)9-13-7-3-4-8-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,5-6H,3-4,7-9,12H2;1-2,10H