4,6-dinitro-1,2-benzoxazole-3-carbaldehyde

Systemtic Name: 4,6-dinitro-1,2-benzoxazole-3-carbaldehyde Openeye Name: 4,6-dinitro-1,2-benzoxazole-3-carbaldehyde CAS Name: 4,6-dinitro-1,2-benzoxazole-3-carboxaldehyde IUPAC Name: 4,6-dinitro-1,2-benzoxazole-3-carbaldehyde Traditional Name: 4,6-dinitroindoxazene-3-carbaldehyde Formula: C8H3N3O6 MolecularWeight: 237.12592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1[N+](=O)[O-])C(=NO2)C=O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C2C(=C1[N+](=O)[O-])C(=NO2)C=O)[N+](=O)[O-]

InChI

InChI=1S/C8H3N3O6/c12-3-5-8-6(11(15)16)1-4(10(13)14)2-7(8)17-9-5/h1-3H