3-nitro-5-prop-2-enoxycarbonyl-benzoic acid

Systemtic Name: 3-nitro-5-prop-2-enoxycarbonyl-benzoic acid Openeye Name: 3-allyloxycarbonyl-5-nitro-benzoic acid CAS Name: 3-nitro-5-[oxo(prop-2-enoxy)methyl]benzoic acid IUPAC Name: 3-nitro-5-prop-2-enoxycarbonylbenzoic acid Traditional Name: 3-allyloxycarbonyl-5-nitro-benzoic acid Formula: C11H9NO6 MolecularWeight: 251.19226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9NO6/c1-2-3-18-11(15)8-4-7(10(13)14)5-9(6-8)12(16)17/h2,4-6H,1,3H2,(H,13,14)