3-methylbutyl 3,5-dinitrobenzoate

Systemtic Name: 3-methylbutyl 3,5-dinitrobenzoate Openeye Name: isopentyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid isoamyl ester Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O6/c1-8(2)3-4-20-12(15)9-5-10(13(16)17)7-11(6-9)14(18)19/h5-8H,3-4H2,1-2H3