3-nitropentan-2-yl ethanoate

Systemtic Name: 3-nitropentan-2-yl ethanoate Openeye Name: (1-methyl-2-nitro-butyl) acetate CAS Name: acetic acid 3-nitropentan-2-yl ester IUPAC Name: 3-nitropentan-2-yl acetate Traditional Name: acetic acid (1-methyl-2-nitro-butyl) ester Formula: C7H13NO4 MolecularWeight: 175.18242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H13NO4/c1-4-7(8(10)11)5(2)12-6(3)9/h5,7H,4H2,1-3H3