[(E)-3-methyl-4-nitro-but-2-enyl] benzoate

Systemtic Name: [(E)-3-methyl-4-nitro-but-2-enyl] benzoate Openeye Name: [(E)-3-methyl-4-nitro-but-2-enyl] benzoate CAS Name: benzoic acid [(E)-3-methyl-4-nitrobut-2-enyl] ester IUPAC Name: [(E)-3-methyl-4-nitrobut-2-enyl] benzoate Traditional Name: benzoic acid [(E)-3-methyl-4-nitro-but-2-enyl] ester Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4/c1-10(9-13(15)16)7-8-17-12(14)11-5-3-2-4-6-11/h2-7H,8-9H2,1H3/b10-7+