[(E)-2-methylbut-2-enyl] 4-nitrobenzoate

Systemtic Name: [(E)-2-methylbut-2-enyl] 4-nitrobenzoate Openeye Name: [(E)-2-methylbut-2-enyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(E)-2-methylbut-2-enyl] ester IUPAC Name: [(E)-2-methylbut-2-enyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(E)-2-methylbut-2-enyl] ester Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C(\C)/COC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO4/c1-3-9(2)8-17-12(14)10-4-6-11(7-5-10)13(15)16/h3-7H,8H2,1-2H3/b9-3+