(E)-3-[2-(hydroxymethyl)-3-nitro-phenyl]prop-2-enoate

Systemtic Name: (E)-3-[2-(hydroxymethyl)-3-nitro-phenyl]prop-2-enoate Openeye Name: (E)-3-[2-(hydroxymethyl)-3-nitro-phenyl]prop-2-enoate CAS Name: (E)-3-[2-(hydroxymethyl)-3-nitrophenyl]-2-propenoate IUPAC Name: (E)-3-[2-(hydroxymethyl)-3-nitrophenyl]prop-2-enoate Traditional Name: (E)-3-(2-methylol-3-nitro-phenyl)acrylate Formula: C10H8NO5- MolecularWeight: 222.17422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO5/c12-6-8-7(4-5-10(13)14)2-1-3-9(8)11(15)16/h1-5,12H,6H2,(H,13,14)/p-1/b5-4+