propyl 2,3,4-trinitrobenzoate

Systemtic Name: propyl 2,3,4-trinitrobenzoate Openeye Name: propyl 2,3,4-trinitrobenzoate CAS Name: 2,3,4-trinitrobenzoic acid propyl ester IUPAC Name: propyl 2,3,4-trinitrobenzoate Traditional Name: 2,3,4-trinitrobenzoic acid propyl ester Formula: C10H9N3O8 MolecularWeight: 299.19376

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C1=C(C(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H9N3O8/c1-2-5-21-10(14)6-3-4-7(11(15)16)9(13(19)20)8(6)12(17)18/h3-4H,2,5H2,1H3