2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine; 2,4,6-trinitrophenolate

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine; 2,4,6-trinitrophenolate Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine; 2,4,6-trinitrophenolate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine; 2,4,6-trinitrophenolate IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine; 2,4,6-trinitrophenolate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamine picrate Formula: C16H15N4O9- MolecularWeight: 407.3117

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CCN.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CCN.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H13NO2.C6H3N3O7/c11-6-5-8-7-12-9-3-1-2-4-10(9)13-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-4,8H,5-7,11H2;1-2,10H/p-1