1,2,4-trimethyl-4-(4-nitrophenyl)-1,2-diazinane; 2,4,6-trinitrophenol

Systemtic Name: 1,2,4-trimethyl-4-(4-nitrophenyl)-1,2-diazinane; 2,4,6-trinitrophenol Openeye Name: picric acid; 1,2,4-trimethyl-4-(4-nitrophenyl)hexahydropyridazine CAS Name: 1,2,4-trimethyl-4-(4-nitrophenyl)diazinane; 2,4,6-trinitrophenol IUPAC Name: 1,2,4-trimethyl-4-(4-nitrophenyl)diazinane; 2,4,6-trinitrophenol Traditional Name: picric acid; 1,2,4-trimethyl-4-(4-nitrophenyl)hexahydropyridazine Formula: C19H22N6O9 MolecularWeight: 478.41278

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(N(C1)C)C)C2=CC=C(C=C2)[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1(CCN(N(C1)C)C)C2=CC=C(C=C2)[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O2.C6H3N3O7/c1-13(8-9-14(2)15(3)10-13)11-4-6-12(7-5-11)16(17)18;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-7H,8-10H2,1-3H3;1-2,10H