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

Systemtic Name: 4-nitro-3-prop-2-enyl-benzene-1,2-diol Openeye Name: 3-allyl-4-nitro-benzene-1,2-diol CAS Name: 4-nitro-3-prop-2-enylbenzene-1,2-diol IUPAC Name: 4-nitro-3-prop-2-enylbenzene-1,2-diol Traditional Name: 3-allyl-4-nitro-pyrocatechol Formula: C9H9NO4 MolecularWeight: 195.17206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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