3-nitro-5-prop-2-enyl-benzene-1,2-diol

Systemtic Name: 3-nitro-5-prop-2-enyl-benzene-1,2-diol Openeye Name: 5-allyl-3-nitro-benzene-1,2-diol CAS Name: 3-nitro-5-prop-2-enylbenzene-1,2-diol IUPAC Name: 3-nitro-5-prop-2-enylbenzene-1,2-diol Traditional Name: 5-allyl-3-nitro-pyrocatechol Formula: C9H9NO4 MolecularWeight: 195.17206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC(=C(C(=C1)O)O)[N+](=O)[O-]

Isomeric SMILES

C=CCC1=CC(=C(C(=C1)O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H9NO4/c1-2-3-6-4-7(10(13)14)9(12)8(11)5-6/h2,4-5,11-12H,1,3H2