2-butoxyethyl 3,5-dinitrobenzoate

Systemtic Name: 2-butoxyethyl 3,5-dinitrobenzoate Openeye Name: 2-butoxyethyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 2-butoxyethyl ester IUPAC Name: 2-butoxyethyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 2-butoxyethyl ester Formula: C13H16N2O7 MolecularWeight: 312.27534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOCCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O7/c1-2-3-4-21-5-6-22-13(16)10-7-11(14(17)18)9-12(8-10)15(19)20/h7-9H,2-6H2,1H3