4-(4-bromanyl-2,6-dinitro-cyclohexa-1,5-dien-1-yl)-3-nitro-benzenecarbonitrile

Systemtic Name: 4-(4-bromanyl-2,6-dinitro-cyclohexa-1,5-dien-1-yl)-3-nitro-benzenecarbonitrile Openeye Name: 4-(4-bromo-2,6-dinitro-cyclohexa-1,5-dien-1-yl)-3-nitro-benzonitrile CAS Name: 4-(4-bromo-2,6-dinitro-1-cyclohexa-1,5-dienyl)-3-nitrobenzonitrile IUPAC Name: 4-(4-bromo-2,6-dinitrocyclohexa-1,5-dien-1-yl)-3-nitrobenzonitrile Traditional Name: 4-(4-bromo-2,6-dinitro-cyclohexa-1,5-dien-1-yl)-3-nitro-benzonitrile Formula: C13H7BrN4O6 MolecularWeight: 395.12188

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=C(C(=C1[N+](=O)[O-])C2=C(C=C(C=C2)C#N)[N+](=O)[O-])[N+](=O)[O-])Br

Isomeric SMILES

C1C(C=C(C(=C1[N+](=O)[O-])C2=C(C=C(C=C2)C#N)[N+](=O)[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C13H7BrN4O6/c14-8-4-11(17(21)22)13(12(5-8)18(23)24)9-2-1-7(6-15)3-10(9)16(19)20/h1-4,8H,5H2