(4-cyanophenyl) 3,5-dinitrobenzoate

Systemtic Name: (4-cyanophenyl) 3,5-dinitrobenzoate Openeye Name: (4-cyanophenyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (4-cyanophenyl) ester Formula: C14H7N3O6 MolecularWeight: 313.22188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H7N3O6/c15-8-9-1-3-13(4-2-9)23-14(18)10-5-11(16(19)20)7-12(6-10)17(21)22/h1-7H