ethyl 5-nitro-2-prop-2-enyl-benzoate

Systemtic Name: ethyl 5-nitro-2-prop-2-enyl-benzoate Openeye Name: ethyl 2-allyl-5-nitro-benzoate CAS Name: 5-nitro-2-prop-2-enylbenzoic acid ethyl ester IUPAC Name: ethyl 5-nitro-2-prop-2-enylbenzoate Traditional Name: 2-allyl-5-nitro-benzoic acid ethyl ester Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4/c1-3-5-9-6-7-10(13(15)16)8-11(9)12(14)17-4-2/h3,6-8H,1,4-5H2,2H3