7,8,9,10-tetrahydrophenanthridine; 2,4,6-trinitrophenol

Systemtic Name: 7,8,9,10-tetrahydrophenanthridine; 2,4,6-trinitrophenol Openeye Name: picric acid; 7,8,9,10-tetrahydrophenanthridine CAS Name: 7,8,9,10-tetrahydrophenanthridine; 2,4,6-trinitrophenol IUPAC Name: 7,8,9,10-tetrahydrophenanthridine; 2,4,6-trinitrophenol Traditional Name: picric acid; 7,8,9,10-tetrahydrophenanthridine Formula: C19H16N4O7 MolecularWeight: 412.35294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=NC3=CC=CC=C23.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C=NC3=CC=CC=C23.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13N.C6H3N3O7/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-4,7-9H,1-2,5-6H2;1-2,10H