[(E)-4-methyl-1-nitro-pent-1-en-3-yl] ethanoate

Systemtic Name: [(E)-4-methyl-1-nitro-pent-1-en-3-yl] ethanoate Openeye Name: [(E)-1-isopropyl-3-nitro-allyl] acetate CAS Name: acetic acid [(E)-4-methyl-1-nitropent-1-en-3-yl] ester IUPAC Name: [(E)-4-methyl-1-nitropent-1-en-3-yl] acetate Traditional Name: acetic acid [(E)-1-isopropyl-3-nitro-allyl] ester Formula: C8H13NO4 MolecularWeight: 187.19312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H13NO4/c1-6(2)8(13-7(3)10)4-5-9(11)12/h4-6,8H,1-3H3/b5-4+