1-(2,4-dinitrophenyl)pyridin-1-ium-3-carboxamide; 2,4,6-trinitrophenol

Systemtic Name: 1-(2,4-dinitrophenyl)pyridin-1-ium-3-carboxamide; 2,4,6-trinitrophenol Openeye Name: 1-(2,4-dinitrophenyl)pyridin-1-ium-3-carboxamide; picric acid CAS Name: 1-(2,4-dinitrophenyl)-3-pyridin-1-iumcarboxamide; 2,4,6-trinitrophenol IUPAC Name: 1-(2,4-dinitrophenyl)pyridin-1-ium-3-carboxamide; 2,4,6-trinitrophenol Traditional Name: 1-(2,4-dinitrophenyl)pyridin-1-ium-3-carboxamide; picric acid Formula: C18H12N7O12+ MolecularWeight: 518.32758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8N4O5.C6H3N3O7/c13-12(17)8-2-1-5-14(7-8)10-4-3-9(15(18)19)6-11(10)16(20)21;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-7H,(H-,13,17);1-2,10H/p+1