4-(4-cyano-2,3,5-trideuterio-6-nitro-phenyl)-2,3,5,6-tetradeuterio-benzenecarbonitrile

Systemtic Name: 4-(4-cyano-2,3,5-trideuterio-6-nitro-phenyl)-2,3,5,6-tetradeuterio-benzenecarbonitrile Openeye Name: 4-(4-cyano-2,3,5-trideuterio-6-nitro-phenyl)-2,3,5,6-tetradeuterio-benzonitrile CAS Name: 4-(4-cyano-2,3,5-trideuterio-6-nitrophenyl)-2,3,5,6-tetradeuteriobenzonitrile IUPAC Name: 4-(4-cyano-2,3,5-trideuterio-6-nitrophenyl)-2,3,5,6-tetradeuteriobenzonitrile Traditional Name: 4-(4-cyano-2,3,5-trideuterio-6-nitro-phenyl)-2,3,5,6-tetradeuterio-benzonitrile Formula: C14H7N3O2 MolecularWeight: 256.267412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1C#N)[2H])[2H])C2=C(C(=C(C(=C2[2H])[2H])C#N)[2H])[N+](=O)[O-])[2H]

InChI

InChI=1S/C14H7N3O2/c15-8-10-1-4-12(5-2-10)13-6-3-11(9-16)7-14(13)17(18)19/h1-7H/i1D,2D,3D,4D,5D,6D,7D