6-[(3H-benzimidazol-5-ylamino)methylidene]-2,4-dinitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[(3H-benzimidazol-5-ylamino)methylidene]-2,4-dinitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[(3H-benzimidazol-5-ylamino)methylene]-2,4-dinitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[(3H-benzimidazol-5-ylamino)methylidene]-2,4-dinitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(3H-benzimidazol-5-ylamino)methylidene]-2,4-dinitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[(3H-benzimidazol-5-ylamino)methylene]-2,4-dinitro-cyclohexa-2,4-dien-1-one Formula: C14H9N5O5 MolecularWeight: 327.25176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC=C3C=C(C=C(C3=O)[N+](=O)[O-])[N+](=O)[O-])NC=N2

Isomeric SMILES

C1=CC2=C(C=C1NC=C3C=C(C=C(C3=O)[N+](=O)[O-])[N+](=O)[O-])NC=N2

InChI

InChI=1S/C14H9N5O5/c20-14-8(3-10(18(21)22)5-13(14)19(23)24)6-15-9-1-2-11-12(4-9)17-7-16-11/h1-7,15H,(H,16,17)