[(E)-3-phenylprop-2-enyl] 5-nitro-2-oxidanyl-benzoate

Systemtic Name: [(E)-3-phenylprop-2-enyl] 5-nitro-2-oxidanyl-benzoate Openeye Name: [(E)-cinnamyl] 2-hydroxy-5-nitro-benzoate CAS Name: 2-hydroxy-5-nitrobenzoic acid [(E)-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-3-phenylprop-2-enyl] 2-hydroxy-5-nitrobenzoate Traditional Name: 2-hydroxy-5-nitro-benzoic acid [(E)-cinnamyl] ester Formula: C16H13NO5 MolecularWeight: 299.27812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCOC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H13NO5/c18-15-9-8-13(17(20)21)11-14(15)16(19)22-10-4-7-12-5-2-1-3-6-12/h1-9,11,18H,10H2/b7-4+