N-(2,3-dihydro-1H-inden-1-yl)-3-(dimethylamino)propanamide; 2,4,6-trinitrophenol

Systemtic Name: N-(2,3-dihydro-1H-inden-1-yl)-3-(dimethylamino)propanamide; 2,4,6-trinitrophenol Openeye Name: 3-(dimethylamino)-N-indan-1-yl-propanamide; picric acid CAS Name: N-(2,3-dihydro-1H-inden-1-yl)-3-(dimethylamino)propanamide; 2,4,6-trinitrophenol IUPAC Name: N-(2,3-dihydro-1H-inden-1-yl)-3-(dimethylamino)propanamide; 2,4,6-trinitrophenol Traditional Name: 3-(dimethylamino)-N-indan-1-yl-propionamide; picric acid Formula: C20H23N5O8 MolecularWeight: 461.42532

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(=O)NC1CCC2=CC=CC=C12.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C)CCC(=O)NC1CCC2=CC=CC=C12.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O.C6H3N3O7/c1-16(2)10-9-14(17)15-13-8-7-11-5-3-4-6-12(11)13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-6,13H,7-10H2,1-2H3,(H,15,17);1-2,10H