2-[(E)-2-nitroprop-1-enyl]-5-propyl-benzoic acid

Systemtic Name: 2-[(E)-2-nitroprop-1-enyl]-5-propyl-benzoic acid Openeye Name: 2-[(E)-2-nitroprop-1-enyl]-5-propyl-benzoic acid CAS Name: 2-[(E)-2-nitroprop-1-enyl]-5-propylbenzoic acid IUPAC Name: 2-[(E)-2-nitroprop-1-enyl]-5-propylbenzoic acid Traditional Name: 2-[(E)-2-nitroprop-1-enyl]-5-propyl-benzoic acid Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)C=C(C)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCC1=CC(=C(C=C1)/C=C(\C)/[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H15NO4/c1-3-4-10-5-6-11(7-9(2)14(17)18)12(8-10)13(15)16/h5-8H,3-4H2,1-2H3,(H,15,16)/b9-7+