(2-methyl-1-nitro-but-3-en-2-yl) ethanoate

Systemtic Name: (2-methyl-1-nitro-but-3-en-2-yl) ethanoate Openeye Name: [1-methyl-1-(nitromethyl)allyl] acetate CAS Name: acetic acid (2-methyl-1-nitrobut-3-en-2-yl) ester IUPAC Name: (2-methyl-1-nitrobut-3-en-2-yl) acetate Traditional Name: acetic acid [1-methyl-1-(nitromethyl)allyl] ester Formula: C7H11NO4 MolecularWeight: 173.16654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H11NO4/c1-4-7(3,5-8(10)11)12-6(2)9/h4H,1,5H2,2-3H3