[(Z)-2-nitropent-1-enyl] benzoate

Systemtic Name: [(Z)-2-nitropent-1-enyl] benzoate Openeye Name: [(Z)-2-nitropent-1-enyl] benzoate CAS Name: benzoic acid [(Z)-2-nitropent-1-enyl] ester IUPAC Name: [(Z)-2-nitropent-1-enyl] benzoate Traditional Name: benzoic acid [(Z)-2-nitropent-1-enyl] ester Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC/C(=C/OC(=O)C1=CC=CC=C1)/[N+](=O)[O-]

InChI

InChI=1S/C12H13NO4/c1-2-6-11(13(15)16)9-17-12(14)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3/b11-9-