prop-2-enyl 3-methyl-5-nitro-benzoate

Systemtic Name: prop-2-enyl 3-methyl-5-nitro-benzoate Openeye Name: allyl 3-methyl-5-nitro-benzoate CAS Name: 3-methyl-5-nitrobenzoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 3-methyl-5-nitrobenzoate Traditional Name: 3-methyl-5-nitro-benzoic acid allyl ester Formula: C11H11NO4 MolecularWeight: 221.20934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC=C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC=C)[N+](=O)[O-]

InChI

InChI=1S/C11H11NO4/c1-3-4-16-11(13)9-5-8(2)6-10(7-9)12(14)15/h3,5-7H,1,4H2,2H3