bis(azanyl)methylidene-(1H-pyrrol-2-ylcarbonyl)azanium; 2,4,6-trinitrophenolate

Systemtic Name: bis(azanyl)methylidene-(1H-pyrrol-2-ylcarbonyl)azanium; 2,4,6-trinitrophenolate Openeye Name: diaminomethylene(1H-pyrrole-2-carbonyl)ammonium; 2,4,6-trinitrophenolate CAS Name: diaminomethylidene-[oxo(1H-pyrrol-2-yl)methyl]ammonium; 2,4,6-trinitrophenolate IUPAC Name: diaminomethylidene(1H-pyrrole-2-carbonyl)azanium; 2,4,6-trinitrophenolate Traditional Name: diaminomethylene(1H-pyrrole-2-carbonyl)ammonium picrate Formula: C12H11N7O8 MolecularWeight: 381.25784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=C1)C(=O)[NH+]=C(N)N.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CNC(=C1)C(=O)[NH+]=C(N)N.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H8N4O.C6H3N3O7/c7-6(8)10-5(11)4-2-1-3-9-4;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-3,9H,(H4,7,8,10,11);1-2,10H