3-ethylpentan-2-yl 3,5-dinitrobenzoate

Systemtic Name: 3-ethylpentan-2-yl 3,5-dinitrobenzoate Openeye Name: (2-ethyl-1-methyl-butyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 3-ethylpentan-2-yl ester IUPAC Name: 3-ethylpentan-2-yl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (2-ethyl-1-methyl-butyl) ester Formula: C14H18N2O6 MolecularWeight: 310.30252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O6/c1-4-10(5-2)9(3)22-14(17)11-6-12(15(18)19)8-13(7-11)16(20)21/h6-10H,4-5H2,1-3H3