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

Systemtic Name: 2-[(E)-2-nitroprop-1-enyl]-5-pentyl-benzoic acid Openeye Name: 2-[(E)-2-nitroprop-1-enyl]-5-pentyl-benzoic acid CAS Name: 2-[(E)-2-nitroprop-1-enyl]-5-pentylbenzoic acid IUPAC Name: 2-[(E)-2-nitroprop-1-enyl]-5-pentylbenzoic acid Traditional Name: 5-amyl-2-[(E)-2-nitroprop-1-enyl]benzoic acid Formula: C15H19NO4 MolecularWeight: 277.31566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)C=C(C)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)/C=C(\C)/[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H19NO4/c1-3-4-5-6-12-7-8-13(9-11(2)16(19)20)14(10-12)15(17)18/h7-10H,3-6H2,1-2H3,(H,17,18)/b11-9+