4-nitro-3-oxidanyl-2-prop-2-enyl-benzoic acid

Systemtic Name: 4-nitro-3-oxidanyl-2-prop-2-enyl-benzoic acid Openeye Name: 2-allyl-3-hydroxy-4-nitro-benzoic acid CAS Name: 3-hydroxy-4-nitro-2-prop-2-enylbenzoic acid IUPAC Name: 3-hydroxy-4-nitro-2-prop-2-enylbenzoic acid Traditional Name: 2-allyl-3-hydroxy-4-nitro-benzoic acid Formula: C10H9NO5 MolecularWeight: 223.18216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C=CC(=C1O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C=CCC1=C(C=CC(=C1O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C10H9NO5/c1-2-3-6-7(10(13)14)4-5-8(9(6)12)11(15)16/h2,4-5,12H,1,3H2,(H,13,14)