1-cyanopropyl 3,5-dinitrobenzoate

Systemtic Name: 1-cyanopropyl 3,5-dinitrobenzoate Openeye Name: 1-cyanopropyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 1-cyanopropyl ester IUPAC Name: 1-cyanopropyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 1-cyanopropyl ester Formula: C11H9N3O6 MolecularWeight: 279.20566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9N3O6/c1-2-10(6-12)20-11(15)7-3-8(13(16)17)5-9(4-7)14(18)19/h3-5,10H,2H2,1H3