[4-(2,2-dicyanoethenyl)phenyl] 3,5-dinitrobenzoate

Systemtic Name: [4-(2,2-dicyanoethenyl)phenyl] 3,5-dinitrobenzoate Openeye Name: [4-(2,2-dicyanovinyl)phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-(2,2-dicyanoethenyl)phenyl] ester IUPAC Name: [4-(2,2-dicyanoethenyl)phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [4-(2,2-dicyanovinyl)phenyl] ester Formula: C17H8N4O6 MolecularWeight: 364.26862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H8N4O6/c18-9-12(10-19)5-11-1-3-16(4-2-11)27-17(22)13-6-14(20(23)24)8-15(7-13)21(25)26/h1-8H