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

Systemtic Name: 3-[(E)-2-nitroprop-1-enyl]benzoic acid Openeye Name: 3-[(E)-2-nitroprop-1-enyl]benzoic acid CAS Name: 3-[(E)-2-nitroprop-1-enyl]benzoic acid IUPAC Name: 3-[(E)-2-nitroprop-1-enyl]benzoic acid Traditional Name: 3-[(E)-2-nitroprop-1-enyl]benzoic acid Formula: C10H9NO4 MolecularWeight: 207.18276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=CC=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO4/c1-7(11(14)15)5-8-3-2-4-9(6-8)10(12)13/h2-6H,1H3,(H,12,13)/b7-5+